smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000424294405 240895730 /nfs/dbraw/zinc/89/57/30/240895730.db2.gz QDLWYYSAAQTBNL-DGCLKSJQSA-N 2 2 326.784 2.046 20 5 EEBDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000130588857 292375982 /nfs/dbraw/zinc/37/59/82/292375982.db2.gz BBHZCFRADDLCBV-UHFFFAOYSA-N 2 2 345.403 2.085 20 5 EEBDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000130588857 292375984 /nfs/dbraw/zinc/37/59/84/292375984.db2.gz BBHZCFRADDLCBV-UHFFFAOYSA-N 2 2 345.403 2.085 20 5 EEBDLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000337404095 465349801 /nfs/dbraw/zinc/34/98/01/465349801.db2.gz LUVBFSISAUERAH-MRXNPFEDSA-N 2 2 349.431 2.148 20 5 EEBDLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000337404095 465349805 /nfs/dbraw/zinc/34/98/05/465349805.db2.gz LUVBFSISAUERAH-MRXNPFEDSA-N 2 2 349.431 2.148 20 5 EEBDLP C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCOCC1 ZINC000153122542 462617304 /nfs/dbraw/zinc/61/73/04/462617304.db2.gz HAABYWOAYFOIMH-MAUKXSAKSA-N 2 2 347.459 2.474 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266915597 464870482 /nfs/dbraw/zinc/87/04/82/464870482.db2.gz KDYMGBMILVCZFL-CYBMUJFWSA-N 2 2 343.387 2.444 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266915597 464870485 /nfs/dbraw/zinc/87/04/85/464870485.db2.gz KDYMGBMILVCZFL-CYBMUJFWSA-N 2 2 343.387 2.444 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353668434 466053102 /nfs/dbraw/zinc/05/31/02/466053102.db2.gz FYXUHBYSEIILBI-INIZCTEOSA-N 2 2 343.431 2.492 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420359863 467377005 /nfs/dbraw/zinc/37/70/05/467377005.db2.gz KYQRUDSMOIIMCG-INIZCTEOSA-N 2 2 334.420 2.339 20 5 EEBDLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435370255 467462663 /nfs/dbraw/zinc/46/26/63/467462663.db2.gz IFGJZFDBSDIFFP-ZJUUUORDSA-N 2 2 345.346 2.374 20 5 EEBDLP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435370255 467462665 /nfs/dbraw/zinc/46/26/65/467462665.db2.gz IFGJZFDBSDIFFP-ZJUUUORDSA-N 2 2 345.346 2.374 20 5 EEBDLP CC[N@@H+]1CCC[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450220432 467802068 /nfs/dbraw/zinc/80/20/68/467802068.db2.gz ZBJDZBGYTLEADP-MRXNPFEDSA-N 2 2 348.447 2.323 20 5 EEBDLP CC[N@H+]1CCC[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450220432 467802073 /nfs/dbraw/zinc/80/20/73/467802073.db2.gz ZBJDZBGYTLEADP-MRXNPFEDSA-N 2 2 348.447 2.323 20 5 EEBDLP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600729078 468638253 /nfs/dbraw/zinc/63/82/53/468638253.db2.gz WORKWQHANTYVFS-RYUDHWBXSA-N 2 2 347.337 2.433 20 5 EEBDLP [NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600729078 468638257 /nfs/dbraw/zinc/63/82/57/468638257.db2.gz WORKWQHANTYVFS-RYUDHWBXSA-N 2 2 347.337 2.433 20 5 EEBDLP C[C@@H](CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000596427197 469261991 /nfs/dbraw/zinc/26/19/91/469261991.db2.gz BDYFZCIWARUADK-AWEZNQCLSA-N 2 2 336.436 2.179 20 5 EEBDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602567379 469363711 /nfs/dbraw/zinc/36/37/11/469363711.db2.gz CHZJXDGSLGWVQN-SUMWQHHRSA-N 2 2 345.447 2.031 20 5 EEBDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602567379 469363715 /nfs/dbraw/zinc/36/37/15/469363715.db2.gz CHZJXDGSLGWVQN-SUMWQHHRSA-N 2 2 345.447 2.031 20 5 EEBDLP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])cc1F ZINC000613380872 469699751 /nfs/dbraw/zinc/69/97/51/469699751.db2.gz VFAORMJUBQQVTI-UHFFFAOYSA-N 2 2 346.362 2.460 20 5 EEBDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764889974 577490299 /nfs/dbraw/zinc/49/02/99/577490299.db2.gz RJDUVVKOQLOHGM-CQSZACIVSA-N 2 2 329.404 2.438 20 5 EEBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000760874375 577671215 /nfs/dbraw/zinc/67/12/15/577671215.db2.gz FRKXLKBZSGCGDP-UHFFFAOYSA-N 2 2 335.795 2.304 20 5 EEBDLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC001158270587 1319130714 /nfs/dbraw/zinc/13/07/14/1319130714.db2.gz VYKXWWQMNWASCT-CQSZACIVSA-N 2 2 341.415 2.145 20 5 EEBDLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC001158270587 1319130720 /nfs/dbraw/zinc/13/07/20/1319130720.db2.gz VYKXWWQMNWASCT-CQSZACIVSA-N 2 2 341.415 2.145 20 5 EEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001576116994 1343968618 /nfs/dbraw/zinc/96/86/18/1343968618.db2.gz CZIXPPVMYVYRGB-VXGBXAGGSA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001576116994 1343968619 /nfs/dbraw/zinc/96/86/19/1343968619.db2.gz CZIXPPVMYVYRGB-VXGBXAGGSA-N 2 2 331.376 2.204 20 5 EEBDLP CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000236708074 242327569 /nfs/dbraw/zinc/32/75/69/242327569.db2.gz NQYVMLDUTNLDKI-KRWDZBQOSA-N 2 2 345.403 2.274 20 5 EEBDLP O=[N+]([O-])c1cccc(C[NH+]2CCN(c3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC000069442734 203002269 /nfs/dbraw/zinc/00/22/69/203002269.db2.gz LRWLLKMYWOJSSK-UHFFFAOYSA-N 2 2 338.371 2.188 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000365489598 275038426 /nfs/dbraw/zinc/03/84/26/275038426.db2.gz FWUVIUBWTDCMCY-XYJFISCASA-N 2 2 331.416 2.425 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000365489598 275038427 /nfs/dbraw/zinc/03/84/27/275038427.db2.gz FWUVIUBWTDCMCY-XYJFISCASA-N 2 2 331.416 2.425 20 5 EEBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444666202 315315280 /nfs/dbraw/zinc/31/52/80/315315280.db2.gz QQGRAPQOOJELSG-UHFFFAOYSA-N 2 2 328.376 2.498 20 5 EEBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444666202 315315284 /nfs/dbraw/zinc/31/52/84/315315284.db2.gz QQGRAPQOOJELSG-UHFFFAOYSA-N 2 2 328.376 2.498 20 5 EEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339054718 465055106 /nfs/dbraw/zinc/05/51/06/465055106.db2.gz CJTZGBWABWOVTP-ZDUSSCGKSA-N 2 2 330.388 2.489 20 5 EEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339054718 465055113 /nfs/dbraw/zinc/05/51/13/465055113.db2.gz CJTZGBWABWOVTP-ZDUSSCGKSA-N 2 2 330.388 2.489 20 5 EEBDLP C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000118842287 462857364 /nfs/dbraw/zinc/85/73/64/462857364.db2.gz VALKKKWVZMFZNI-ZDUSSCGKSA-N 2 2 345.403 2.418 20 5 EEBDLP C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000118842287 462857370 /nfs/dbraw/zinc/85/73/70/462857370.db2.gz VALKKKWVZMFZNI-ZDUSSCGKSA-N 2 2 345.403 2.418 20 5 EEBDLP C[NH+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842287 462857374 /nfs/dbraw/zinc/85/73/74/462857374.db2.gz VALKKKWVZMFZNI-ZDUSSCGKSA-N 2 2 345.403 2.418 20 5 EEBDLP C[NH+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842287 462857378 /nfs/dbraw/zinc/85/73/78/462857378.db2.gz VALKKKWVZMFZNI-ZDUSSCGKSA-N 2 2 345.403 2.418 20 5 EEBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000093132754 463010517 /nfs/dbraw/zinc/01/05/17/463010517.db2.gz FRJRPOPUVSBQBC-SUQGKYDKSA-N 2 2 344.459 2.320 20 5 EEBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000093132754 463010523 /nfs/dbraw/zinc/01/05/23/463010523.db2.gz FRJRPOPUVSBQBC-SUQGKYDKSA-N 2 2 344.459 2.320 20 5 EEBDLP CC[NH+]1CCN([C@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000255363097 463720207 /nfs/dbraw/zinc/72/02/07/463720207.db2.gz FRJRPOPUVSBQBC-YEODSOHDSA-N 2 2 344.459 2.320 20 5 EEBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000255363097 463720216 /nfs/dbraw/zinc/72/02/16/463720216.db2.gz FRJRPOPUVSBQBC-YEODSOHDSA-N 2 2 344.459 2.320 20 5 EEBDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862540 464460268 /nfs/dbraw/zinc/46/02/68/464460268.db2.gz YFKFNUYMWVZWCP-JKSUJKDBSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862540 464460270 /nfs/dbraw/zinc/46/02/70/464460270.db2.gz YFKFNUYMWVZWCP-JKSUJKDBSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862540 464460275 /nfs/dbraw/zinc/46/02/75/464460275.db2.gz YFKFNUYMWVZWCP-JKSUJKDBSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862540 464460278 /nfs/dbraw/zinc/46/02/78/464460278.db2.gz YFKFNUYMWVZWCP-JKSUJKDBSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367026825 466080066 /nfs/dbraw/zinc/08/00/66/466080066.db2.gz DDCPDWHIKUAGFS-QFBILLFUSA-N 2 2 346.475 2.095 20 5 EEBDLP C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367026825 466080070 /nfs/dbraw/zinc/08/00/70/466080070.db2.gz DDCPDWHIKUAGFS-QFBILLFUSA-N 2 2 346.475 2.095 20 5 EEBDLP C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)C[NH3+] ZINC000420296587 467343443 /nfs/dbraw/zinc/34/34/43/467343443.db2.gz XEQJPIQFGSQJND-UHFFFAOYSA-N 2 2 328.800 2.103 20 5 EEBDLP C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)C[NH3+] ZINC000420296587 467343445 /nfs/dbraw/zinc/34/34/45/467343445.db2.gz XEQJPIQFGSQJND-UHFFFAOYSA-N 2 2 328.800 2.103 20 5 EEBDLP COc1ccc(OCC[NH+]2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000430562347 467440857 /nfs/dbraw/zinc/44/08/57/467440857.db2.gz DJBMBXMLBFURQH-UHFFFAOYSA-N 2 2 349.431 2.446 20 5 EEBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000600733604 468642139 /nfs/dbraw/zinc/64/21/39/468642139.db2.gz KWHLWQFKJJVINS-CQSZACIVSA-N 2 2 347.337 2.160 20 5 EEBDLP C[NH2+]C1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000598632451 468939922 /nfs/dbraw/zinc/93/99/22/468939922.db2.gz DACAFFKQXFNMBK-UHFFFAOYSA-N 2 2 327.388 2.336 20 5 EEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000611171967 469180977 /nfs/dbraw/zinc/18/09/77/469180977.db2.gz NIIXYICJQBHIEM-UHFFFAOYSA-N 2 2 345.403 2.049 20 5 EEBDLP C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C[NH3+] ZINC000843351112 1315897028 /nfs/dbraw/zinc/89/70/28/1315897028.db2.gz GYPQEBUZLLRMCQ-XHDPSFHLSA-N 2 2 338.383 2.122 20 5 EEBDLP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C[NH3+] ZINC000843351112 1315897032 /nfs/dbraw/zinc/89/70/32/1315897032.db2.gz GYPQEBUZLLRMCQ-XHDPSFHLSA-N 2 2 338.383 2.122 20 5 EEBDLP [NH3+]C[C@@]1(Nc2nc(Cl)c(Cl)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160509869 1320179904 /nfs/dbraw/zinc/17/99/04/1320179904.db2.gz BWSUPJRMVXECGC-CYBMUJFWSA-N 2 2 346.218 2.132 20 5 EEBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NCC3CC[NH+](CCO)CC3)c2c1 ZINC000413131444 312797568 /nfs/dbraw/zinc/79/75/68/312797568.db2.gz NTLDFALAKWUTTK-UHFFFAOYSA-N 2 2 330.388 2.259 20 5 EEBDLP CC[NH+]1CCC([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000077248753 462959527 /nfs/dbraw/zinc/95/95/27/462959527.db2.gz UNDBNIAMHXWUOI-UHFFFAOYSA-N 2 2 335.404 2.377 20 5 EEBDLP CC[NH+]1CCC([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000077248753 462959535 /nfs/dbraw/zinc/95/95/35/462959535.db2.gz UNDBNIAMHXWUOI-UHFFFAOYSA-N 2 2 335.404 2.377 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000261891344 463890184 /nfs/dbraw/zinc/89/01/84/463890184.db2.gz VOCVVPJRKUHTJC-HNNXBMFYSA-N 2 2 345.346 2.376 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000261891344 463890189 /nfs/dbraw/zinc/89/01/89/463890189.db2.gz VOCVVPJRKUHTJC-HNNXBMFYSA-N 2 2 345.346 2.376 20 5 EEBDLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237384605 464312933 /nfs/dbraw/zinc/31/29/33/464312933.db2.gz XINCVLWFSGHONH-OCCSQVGLSA-N 2 2 343.387 2.122 20 5 EEBDLP Cc1cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000266799209 464826469 /nfs/dbraw/zinc/82/64/69/464826469.db2.gz BOYKWWASAQLYRC-UHFFFAOYSA-N 2 2 333.436 2.269 20 5 EEBDLP Cn1ccnc1[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000353441314 465884816 /nfs/dbraw/zinc/88/48/16/465884816.db2.gz MKWKMYCVMXMJHD-INIZCTEOSA-N 2 2 340.387 2.294 20 5 EEBDLP Cc1cc(NC[C@H]2CCCC[NH2+]2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591429683 468467577 /nfs/dbraw/zinc/46/75/77/468467577.db2.gz ICIKLIYVMDPNHN-CQSZACIVSA-N 2 2 327.388 2.336 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353671165 466056322 /nfs/dbraw/zinc/05/63/22/466056322.db2.gz NDKPNKHHOITECQ-INIZCTEOSA-N 2 2 343.431 2.492 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368484373 466647121 /nfs/dbraw/zinc/64/71/21/466647121.db2.gz SKCOFWQPHXAJQZ-XOKHGSTOSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368484373 466647123 /nfs/dbraw/zinc/64/71/23/466647123.db2.gz SKCOFWQPHXAJQZ-XOKHGSTOSA-N 2 2 337.395 2.417 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423367523 466730050 /nfs/dbraw/zinc/73/00/50/466730050.db2.gz MQTYVIIRJAGIQK-OFQRWUPVSA-N 2 2 329.404 2.277 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427887349 467184567 /nfs/dbraw/zinc/18/45/67/467184567.db2.gz SKFPIXOGYGHAFZ-TZMCWYRMSA-N 2 2 343.387 2.113 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449395683 467638551 /nfs/dbraw/zinc/63/85/51/467638551.db2.gz JVQDNRSGAUZDDA-HKBKRHGFSA-N 2 2 333.432 2.435 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449395683 467638555 /nfs/dbraw/zinc/63/85/55/467638555.db2.gz JVQDNRSGAUZDDA-HKBKRHGFSA-N 2 2 333.432 2.435 20 5 EEBDLP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601144299 468759223 /nfs/dbraw/zinc/75/92/23/468759223.db2.gz ILXDUFOJSPFEJQ-CQSZACIVSA-N 2 2 343.431 2.003 20 5 EEBDLP C[C@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601144299 468759229 /nfs/dbraw/zinc/75/92/29/468759229.db2.gz ILXDUFOJSPFEJQ-CQSZACIVSA-N 2 2 343.431 2.003 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157350 469897554 /nfs/dbraw/zinc/89/75/54/469897554.db2.gz FKXHEQJSARYTCO-CJNGLKHVSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157350 469897557 /nfs/dbraw/zinc/89/75/57/469897557.db2.gz FKXHEQJSARYTCO-CJNGLKHVSA-N 2 2 343.387 2.455 20 5 EEBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420358687 526697308 /nfs/dbraw/zinc/69/73/08/526697308.db2.gz IXQDAUJAZFENOR-LBPRGKRZSA-N 2 2 328.800 2.150 20 5 EEBDLP C[NH+](C)Cc1cnc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000796300212 1215749529 /nfs/dbraw/zinc/74/95/29/1215749529.db2.gz SUIZWONHESXPMA-UHFFFAOYSA-N 2 2 336.417 2.282 20 5 EEBDLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1 ZINC001158261939 1319122272 /nfs/dbraw/zinc/12/22/72/1319122272.db2.gz PSTRYUIPWJXTCZ-CQSZACIVSA-N 2 2 341.415 2.145 20 5 EEBDLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1 ZINC001158261939 1319122278 /nfs/dbraw/zinc/12/22/78/1319122278.db2.gz PSTRYUIPWJXTCZ-CQSZACIVSA-N 2 2 341.415 2.145 20 5 EEBDLP C[NH+](C)CCOc1cc(NCc2cc[nH+]c(N)c2)ccc1[N+](=O)[O-] ZINC001167616476 760741126 /nfs/dbraw/zinc/74/11/26/760741126.db2.gz JCAMUODQFMQZSZ-UHFFFAOYSA-N 2 2 331.376 2.125 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000923401454 789502322 /nfs/dbraw/zinc/50/23/22/789502322.db2.gz NGLKDDCPNVBXPR-BNOWGMLFSA-N 2 2 347.337 2.087 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000923401454 789502328 /nfs/dbraw/zinc/50/23/28/789502328.db2.gz NGLKDDCPNVBXPR-BNOWGMLFSA-N 2 2 347.337 2.087 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC[NH+]2CCCC2)c1F ZINC001173175493 797276478 /nfs/dbraw/zinc/27/64/78/797276478.db2.gz OJKSFLISGCDOKC-GFCCVEGCSA-N 2 2 325.384 2.359 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422632207 240166709 /nfs/dbraw/zinc/16/67/09/240166709.db2.gz GJVKGSANNNUHQF-RDBSUJKOSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422632207 240166710 /nfs/dbraw/zinc/16/67/10/240166710.db2.gz GJVKGSANNNUHQF-RDBSUJKOSA-N 2 2 334.420 2.147 20 5 EEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664076 285160294 /nfs/dbraw/zinc/16/02/94/285160294.db2.gz GHOZQYHWDLAGPK-WMHVBEDNSA-N 2 2 331.416 2.262 20 5 EEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664076 285160295 /nfs/dbraw/zinc/16/02/95/285160295.db2.gz GHOZQYHWDLAGPK-WMHVBEDNSA-N 2 2 331.416 2.262 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327066 303004698 /nfs/dbraw/zinc/00/46/98/303004698.db2.gz CTIBABVVIQDDHN-SJLPKXTDSA-N 2 2 343.431 2.397 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423358953 303005131 /nfs/dbraw/zinc/00/51/31/303005131.db2.gz CMWWYUKRLQPDBV-OFQRWUPVSA-N 2 2 329.404 2.277 20 5 EEBDLP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000430944836 314596760 /nfs/dbraw/zinc/59/67/60/314596760.db2.gz OFYKJHVOCHASPP-UHFFFAOYSA-N 2 2 340.811 2.118 20 5 EEBDLP C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCOCC1 ZINC000153122431 462617472 /nfs/dbraw/zinc/61/74/72/462617472.db2.gz HAABYWOAYFOIMH-QAPCUYQASA-N 2 2 347.459 2.474 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124457545 463426570 /nfs/dbraw/zinc/42/65/70/463426570.db2.gz WJRVWHNWGLIMIJ-CYBMUJFWSA-N 2 2 331.376 2.140 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124457545 463426574 /nfs/dbraw/zinc/42/65/74/463426574.db2.gz WJRVWHNWGLIMIJ-CYBMUJFWSA-N 2 2 331.376 2.140 20 5 EEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430573925 467442929 /nfs/dbraw/zinc/44/29/29/467442929.db2.gz NENLOVFHPFHTCE-YPMHNXCESA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430573925 467442934 /nfs/dbraw/zinc/44/29/34/467442934.db2.gz NENLOVFHPFHTCE-YPMHNXCESA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430575001 467444032 /nfs/dbraw/zinc/44/40/32/467444032.db2.gz UIOYGDCLKOZNDD-WCQYABFASA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430575001 467444037 /nfs/dbraw/zinc/44/40/37/467444037.db2.gz UIOYGDCLKOZNDD-WCQYABFASA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000571626843 468813327 /nfs/dbraw/zinc/81/33/27/468813327.db2.gz MFHRZIVAGGUIDZ-OCVGTWLNSA-N 2 2 333.436 2.490 20 5 EEBDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000571626843 468813330 /nfs/dbraw/zinc/81/33/30/468813330.db2.gz MFHRZIVAGGUIDZ-OCVGTWLNSA-N 2 2 333.436 2.490 20 5 EEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)nc2c1 ZINC000602716792 469028804 /nfs/dbraw/zinc/02/88/04/469028804.db2.gz DLQLMODTLSAXGD-AWEZNQCLSA-N 2 2 346.387 2.079 20 5 EEBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@H+](CC4CC4)C3)CC2)cn1 ZINC000602567092 469363563 /nfs/dbraw/zinc/36/35/63/469363563.db2.gz UQVGGDYNWJJMIB-INIZCTEOSA-N 2 2 345.447 2.033 20 5 EEBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)CC2)cn1 ZINC000602567092 469363568 /nfs/dbraw/zinc/36/35/68/469363568.db2.gz UQVGGDYNWJJMIB-INIZCTEOSA-N 2 2 345.447 2.033 20 5 EEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000866364142 1201500701 /nfs/dbraw/zinc/50/07/01/1201500701.db2.gz AWXFBVRNXBISKM-BBRMVZONSA-N 2 2 339.411 2.101 20 5 EEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000866364142 1201500705 /nfs/dbraw/zinc/50/07/05/1201500705.db2.gz AWXFBVRNXBISKM-BBRMVZONSA-N 2 2 339.411 2.101 20 5 EEBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842476177 1315713026 /nfs/dbraw/zinc/71/30/26/1315713026.db2.gz IMZPKPOOKITHAW-ZDUSSCGKSA-N 2 2 340.811 2.164 20 5 EEBDLP C[C@H](CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000272554453 274175079 /nfs/dbraw/zinc/17/50/79/274175079.db2.gz RYANZAOGAUAXQF-DYVFJYSZSA-N 2 2 343.431 2.490 20 5 EEBDLP C[C@H](CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000272554453 274175083 /nfs/dbraw/zinc/17/50/83/274175083.db2.gz RYANZAOGAUAXQF-DYVFJYSZSA-N 2 2 343.431 2.490 20 5 EEBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591016412 468392564 /nfs/dbraw/zinc/39/25/64/468392564.db2.gz NEFARQKHKFGOFW-WBVHZDCISA-N 2 2 346.431 2.482 20 5 EEBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591016412 468392569 /nfs/dbraw/zinc/39/25/69/468392569.db2.gz NEFARQKHKFGOFW-WBVHZDCISA-N 2 2 346.431 2.482 20 5 EEBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591016412 468392573 /nfs/dbraw/zinc/39/25/73/468392573.db2.gz NEFARQKHKFGOFW-WBVHZDCISA-N 2 2 346.431 2.482 20 5 EEBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591016412 468392579 /nfs/dbraw/zinc/39/25/79/468392579.db2.gz NEFARQKHKFGOFW-WBVHZDCISA-N 2 2 346.431 2.482 20 5 EEBDLP C[N@H+](CCCO)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353481229 465919441 /nfs/dbraw/zinc/91/94/41/465919441.db2.gz IOPYEQCYKXJQIS-DAXSKMNVSA-N 2 2 333.432 2.387 20 5 EEBDLP C[N@@H+](CCCO)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353481229 465919447 /nfs/dbraw/zinc/91/94/47/465919447.db2.gz IOPYEQCYKXJQIS-DAXSKMNVSA-N 2 2 333.432 2.387 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](N[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591578260 468486253 /nfs/dbraw/zinc/48/62/53/468486253.db2.gz HVOUMQJVLWXTRC-HOCLYGCPSA-N 2 2 329.404 2.149 20 5 EEBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430573919 467442745 /nfs/dbraw/zinc/44/27/45/467442745.db2.gz NENLOVFHPFHTCE-AAEUAGOBSA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430573919 467442749 /nfs/dbraw/zinc/44/27/49/467442749.db2.gz NENLOVFHPFHTCE-AAEUAGOBSA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430573921 467443071 /nfs/dbraw/zinc/44/30/71/467443071.db2.gz NENLOVFHPFHTCE-DGCLKSJQSA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430573921 467443076 /nfs/dbraw/zinc/44/30/76/467443076.db2.gz NENLOVFHPFHTCE-DGCLKSJQSA-N 2 2 331.376 2.204 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000453267279 467473871 /nfs/dbraw/zinc/47/38/71/467473871.db2.gz PCFDERVOOUTPOD-QZTJIDSGSA-N 2 2 347.459 2.352 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000453267279 467473874 /nfs/dbraw/zinc/47/38/74/467473874.db2.gz PCFDERVOOUTPOD-QZTJIDSGSA-N 2 2 347.459 2.352 20 5 EEBDLP C[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[C@@H](C)[NH+]1CCOCC1 ZINC000601113915 468745219 /nfs/dbraw/zinc/74/52/19/468745219.db2.gz JITNXDKERPHEFY-CHWSQXEVSA-N 2 2 330.388 2.086 20 5 EEBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602567377 469363485 /nfs/dbraw/zinc/36/34/85/469363485.db2.gz CHZJXDGSLGWVQN-DYVFJYSZSA-N 2 2 345.447 2.031 20 5 EEBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602567377 469363487 /nfs/dbraw/zinc/36/34/87/469363487.db2.gz CHZJXDGSLGWVQN-DYVFJYSZSA-N 2 2 345.447 2.031 20 5 EEBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000779061719 1208485881 /nfs/dbraw/zinc/48/58/81/1208485881.db2.gz MPMXUCOYWGRECP-OAHLLOKOSA-N 2 2 341.415 2.365 20 5 EEBDLP C[NH+](C)C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001156177048 1317907797 /nfs/dbraw/zinc/90/77/97/1317907797.db2.gz YWEOXLSIHBKWCU-UHFFFAOYSA-N 2 2 327.816 2.081 20 5 EEBDLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)C1 ZINC001158260556 1319121096 /nfs/dbraw/zinc/12/10/96/1319121096.db2.gz FHSOFDSIKCDEAP-CQSZACIVSA-N 2 2 341.415 2.145 20 5 EEBDLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)C1 ZINC001158260556 1319121104 /nfs/dbraw/zinc/12/11/04/1319121104.db2.gz FHSOFDSIKCDEAP-CQSZACIVSA-N 2 2 341.415 2.145 20 5 EEBDLP C[NH+](C)C1(CNc2c(Cl)nccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164210782 1321319020 /nfs/dbraw/zinc/31/90/20/1321319020.db2.gz IRYZIVHXZCCFHA-UHFFFAOYSA-N 2 2 327.816 2.081 20 5 EEBDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001336000396 1336463484 /nfs/dbraw/zinc/46/34/84/1336463484.db2.gz CHKLMKOARPOVIX-ZDUSSCGKSA-N 2 2 334.420 2.386 20 5 EEBDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001336000396 1336463486 /nfs/dbraw/zinc/46/34/86/1336463486.db2.gz CHKLMKOARPOVIX-ZDUSSCGKSA-N 2 2 334.420 2.386 20 5 EEBDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000270658312 256158002 /nfs/dbraw/zinc/15/80/02/256158002.db2.gz QAYHQXJIMROWNG-UHFFFAOYSA-N 2 2 329.404 2.312 20 5 EEBDLP C[NH2+]C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435375675 314898090 /nfs/dbraw/zinc/89/80/90/314898090.db2.gz NKTSQOJYJWNOAH-UHFFFAOYSA-N 2 2 329.404 2.179 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181086804 323338137 /nfs/dbraw/zinc/33/81/37/323338137.db2.gz ZDMVKRSTBWUPJK-UHFFFAOYSA-N 2 2 331.376 2.060 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181086804 323338140 /nfs/dbraw/zinc/33/81/40/323338140.db2.gz ZDMVKRSTBWUPJK-UHFFFAOYSA-N 2 2 331.376 2.060 20 5 EEBDLP CN(CCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000344025613 465578474 /nfs/dbraw/zinc/57/84/74/465578474.db2.gz JCZFZHVJMZNSKZ-UHFFFAOYSA-N 2 2 326.416 2.049 20 5 EEBDLP CN(CCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000344025613 465578481 /nfs/dbraw/zinc/57/84/81/465578481.db2.gz JCZFZHVJMZNSKZ-UHFFFAOYSA-N 2 2 326.416 2.049 20 5 EEBDLP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017367 463001423 /nfs/dbraw/zinc/00/14/23/463001423.db2.gz ABLFFFRBXDIFPH-KRWDZBQOSA-N 2 2 333.432 2.447 20 5 EEBDLP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017367 463001430 /nfs/dbraw/zinc/00/14/30/463001430.db2.gz ABLFFFRBXDIFPH-KRWDZBQOSA-N 2 2 333.432 2.447 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430555197 467439794 /nfs/dbraw/zinc/43/97/94/467439794.db2.gz OJAFMBPUNAGRIM-IHRRRGAJSA-N 2 2 334.420 2.289 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430555197 467439796 /nfs/dbraw/zinc/43/97/96/467439796.db2.gz OJAFMBPUNAGRIM-IHRRRGAJSA-N 2 2 334.420 2.289 20 5 EEBDLP [NH3+]C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600726527 468637659 /nfs/dbraw/zinc/63/76/59/468637659.db2.gz LTEKHGGTZTUORR-SMDDNHRTSA-N 2 2 347.337 2.433 20 5 EEBDLP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600726527 468637663 /nfs/dbraw/zinc/63/76/63/468637663.db2.gz LTEKHGGTZTUORR-SMDDNHRTSA-N 2 2 347.337 2.433 20 5 EEBDLP CC[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000592488725 468709622 /nfs/dbraw/zinc/70/96/22/468709622.db2.gz MMBWGFKQVOGBCS-RISCZKNCSA-N 2 2 331.376 2.204 20 5 EEBDLP CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000592488725 468709626 /nfs/dbraw/zinc/70/96/26/468709626.db2.gz MMBWGFKQVOGBCS-RISCZKNCSA-N 2 2 331.376 2.204 20 5 EEBDLP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000598994240 469080863 /nfs/dbraw/zinc/08/08/63/469080863.db2.gz HAFRWBPWJPLHFC-CYBMUJFWSA-N 2 2 337.420 2.434 20 5 EEBDLP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000598994240 469080867 /nfs/dbraw/zinc/08/08/67/469080867.db2.gz HAFRWBPWJPLHFC-CYBMUJFWSA-N 2 2 337.420 2.434 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593733371 469114933 /nfs/dbraw/zinc/11/49/33/469114933.db2.gz MAHXAYQZCPKJLO-TZMCWYRMSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593733371 469114936 /nfs/dbraw/zinc/11/49/36/469114936.db2.gz MAHXAYQZCPKJLO-TZMCWYRMSA-N 2 2 334.420 2.291 20 5 EEBDLP C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593734045 469116192 /nfs/dbraw/zinc/11/61/92/469116192.db2.gz SBMFPFJUWLFYMW-CJNGLKHVSA-N 2 2 334.420 2.007 20 5 EEBDLP C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593734045 469116200 /nfs/dbraw/zinc/11/62/00/469116200.db2.gz SBMFPFJUWLFYMW-CJNGLKHVSA-N 2 2 334.420 2.007 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157334 469897921 /nfs/dbraw/zinc/89/79/21/469897921.db2.gz DTLTWQNAIOPCJG-KBPBESRZSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157334 469897923 /nfs/dbraw/zinc/89/79/23/469897923.db2.gz DTLTWQNAIOPCJG-KBPBESRZSA-N 2 2 343.387 2.455 20 5 EEBDLP Cc1nn(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000755791765 577831579 /nfs/dbraw/zinc/83/15/79/577831579.db2.gz SFVSLARTPJNJRT-ZDUSSCGKSA-N 2 2 340.387 2.433 20 5 EEBDLP Cc1nn(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000755791765 577831580 /nfs/dbraw/zinc/83/15/80/577831580.db2.gz SFVSLARTPJNJRT-ZDUSSCGKSA-N 2 2 340.387 2.433 20 5 EEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000866364143 1201500470 /nfs/dbraw/zinc/50/04/70/1201500470.db2.gz AWXFBVRNXBISKM-CJNGLKHVSA-N 2 2 339.411 2.101 20 5 EEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000866364143 1201500478 /nfs/dbraw/zinc/50/04/78/1201500478.db2.gz AWXFBVRNXBISKM-CJNGLKHVSA-N 2 2 339.411 2.101 20 5 EEBDLP O=[N+]([O-])c1cnn(CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880569184 1201525404 /nfs/dbraw/zinc/52/54/04/1201525404.db2.gz JHKYFCMWGSWJIO-MRXNPFEDSA-N 2 2 326.360 2.019 20 5 EEBDLP O=C(OCCC[NH+]1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000800218369 1202222119 /nfs/dbraw/zinc/22/21/19/1202222119.db2.gz QPIYMXFKSDDGTK-UHFFFAOYSA-N 2 2 344.371 2.423 20 5 EEBDLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cc2cccnc2c2ncccc12 ZINC001218979812 1297892107 /nfs/dbraw/zinc/89/21/07/1297892107.db2.gz ZSIVDLNIYMUUIQ-UHFFFAOYSA-N 2 2 335.411 2.063 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579734123 1344410593 /nfs/dbraw/zinc/41/05/93/1344410593.db2.gz OOKWHSWGZVKGFC-KDOFPFPSSA-N 2 2 346.431 2.293 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579734123 1344410599 /nfs/dbraw/zinc/41/05/99/1344410599.db2.gz OOKWHSWGZVKGFC-KDOFPFPSSA-N 2 2 346.431 2.293 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2[nH+]ccn2C)c1F ZINC001173186000 797281150 /nfs/dbraw/zinc/28/11/50/797281150.db2.gz QSVIHDKZHMJZDR-NSHDSACASA-N 2 2 336.367 2.239 20 5 EEBDLP CC1(C)C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279052276 269258905 /nfs/dbraw/zinc/25/89/05/269258905.db2.gz KGFBDLBBWFBGRB-YOEHRIQHSA-N 2 2 333.432 2.364 20 5 EEBDLP C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCOCC1 ZINC000153122664 289697072 /nfs/dbraw/zinc/69/70/72/289697072.db2.gz HAABYWOAYFOIMH-CRAIPNDOSA-N 2 2 347.459 2.474 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000297383394 294229115 /nfs/dbraw/zinc/22/91/15/294229115.db2.gz RGIPKZFJVAOOJU-ROUUACIJSA-N 2 2 347.459 2.352 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000297383394 294229116 /nfs/dbraw/zinc/22/91/16/294229116.db2.gz RGIPKZFJVAOOJU-ROUUACIJSA-N 2 2 347.459 2.352 20 5 EEBDLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000105797638 463465906 /nfs/dbraw/zinc/46/59/06/463465906.db2.gz XMUOTGKDZXBJDH-OAHLLOKOSA-N 2 2 342.403 2.185 20 5 EEBDLP CCCC[C@@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000162720237 463533410 /nfs/dbraw/zinc/53/34/10/463533410.db2.gz GBRAFGDFRHDYET-ZDUSSCGKSA-N 2 2 331.376 2.028 20 5 EEBDLP C[C@@H]1C[C@@H](N[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423391512 466736583 /nfs/dbraw/zinc/73/65/83/466736583.db2.gz WXLASEPIQAYCGG-INWMFGNUSA-N 2 2 329.404 2.148 20 5 EEBDLP [NH3+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000423972172 466932259 /nfs/dbraw/zinc/93/22/59/466932259.db2.gz ZHWQXILVNFQVPV-AWEZNQCLSA-N 2 2 343.387 2.028 20 5 EEBDLP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108501 467326141 /nfs/dbraw/zinc/32/61/41/467326141.db2.gz FCPQAFGXSWLKEN-UHFFFAOYSA-N 2 2 349.357 2.140 20 5 EEBDLP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108501 467326145 /nfs/dbraw/zinc/32/61/45/467326145.db2.gz FCPQAFGXSWLKEN-UHFFFAOYSA-N 2 2 349.357 2.140 20 5 EEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430557637 467439463 /nfs/dbraw/zinc/43/94/63/467439463.db2.gz TYWQKJLOIBYDJW-AWEZNQCLSA-N 2 2 333.392 2.450 20 5 EEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430557637 467439467 /nfs/dbraw/zinc/43/94/67/467439467.db2.gz TYWQKJLOIBYDJW-AWEZNQCLSA-N 2 2 333.392 2.450 20 5 EEBDLP C[N@H+](CCOCC[NH3+])Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600772477 468653348 /nfs/dbraw/zinc/65/33/48/468653348.db2.gz CVGONALLUUEQJQ-UHFFFAOYSA-N 2 2 336.417 2.125 20 5 EEBDLP C[N@@H+](CCOCC[NH3+])Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600772477 468653352 /nfs/dbraw/zinc/65/33/52/468653352.db2.gz CVGONALLUUEQJQ-UHFFFAOYSA-N 2 2 336.417 2.125 20 5 EEBDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000598994828 469080366 /nfs/dbraw/zinc/08/03/66/469080366.db2.gz TYZKKXGZOAMMIC-CYBMUJFWSA-N 2 2 335.404 2.188 20 5 EEBDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000598994828 469080374 /nfs/dbraw/zinc/08/03/74/469080374.db2.gz TYZKKXGZOAMMIC-CYBMUJFWSA-N 2 2 335.404 2.188 20 5 EEBDLP CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611374164 469237456 /nfs/dbraw/zinc/23/74/56/469237456.db2.gz MYTSTIVMEUVRSF-OAHLLOKOSA-N 2 2 338.477 2.257 20 5 EEBDLP CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611374164 469237459 /nfs/dbraw/zinc/23/74/59/469237459.db2.gz MYTSTIVMEUVRSF-OAHLLOKOSA-N 2 2 338.477 2.257 20 5 EEBDLP CC1(C)C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000596655878 469324040 /nfs/dbraw/zinc/32/40/40/469324040.db2.gz ZBGQPWFEUCWXPU-AWEZNQCLSA-N 2 2 343.387 2.061 20 5 EEBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602506612 469342783 /nfs/dbraw/zinc/34/27/83/469342783.db2.gz DVUDLYOGEFCWJV-OAHLLOKOSA-N 2 2 333.436 2.033 20 5 EEBDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602506612 469342786 /nfs/dbraw/zinc/34/27/86/469342786.db2.gz DVUDLYOGEFCWJV-OAHLLOKOSA-N 2 2 333.436 2.033 20 5 EEBDLP COc1cc(C[NH2+][C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430596743 485704875 /nfs/dbraw/zinc/70/48/75/485704875.db2.gz OZYYWTKGBSAFAU-OAHLLOKOSA-N 2 2 345.346 2.422 20 5 EEBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476388 1315712357 /nfs/dbraw/zinc/71/23/57/1315712357.db2.gz NGOAUSMFKQXHPW-ZDUSSCGKSA-N 2 2 340.811 2.164 20 5 EEBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000164780852 789295181 /nfs/dbraw/zinc/29/51/81/789295181.db2.gz XXQMIUGUUDDDHX-HOCLYGCPSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000164780852 789295189 /nfs/dbraw/zinc/29/51/89/789295189.db2.gz XXQMIUGUUDDDHX-HOCLYGCPSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000164780852 789295196 /nfs/dbraw/zinc/29/51/96/789295196.db2.gz XXQMIUGUUDDDHX-HOCLYGCPSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000164780852 789295204 /nfs/dbraw/zinc/29/52/04/789295204.db2.gz XXQMIUGUUDDDHX-HOCLYGCPSA-N 2 2 329.404 2.318 20 5 EEBDLP C[C@@H]1C[C@@H](N[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423391513 297286011 /nfs/dbraw/zinc/28/60/11/297286011.db2.gz WXLASEPIQAYCGG-IVMMDQJWSA-N 2 2 329.404 2.148 20 5 EEBDLP Cc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083848 463317733 /nfs/dbraw/zinc/31/77/33/463317733.db2.gz WYWXLKCEEVFBMP-CQSZACIVSA-N 2 2 343.431 2.499 20 5 EEBDLP Cc1cc[nH+]c(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000166088453 463651725 /nfs/dbraw/zinc/65/17/25/463651725.db2.gz USDWGXVQCBTQSP-UHFFFAOYSA-N 2 2 342.399 2.499 20 5 EEBDLP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000295126111 464715634 /nfs/dbraw/zinc/71/56/34/464715634.db2.gz XXABNUMFVWJGPO-AGUYFDCRSA-N 2 2 335.404 2.327 20 5 EEBDLP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000295126111 464715641 /nfs/dbraw/zinc/71/56/41/464715641.db2.gz XXABNUMFVWJGPO-AGUYFDCRSA-N 2 2 335.404 2.327 20 5 EEBDLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430551955 467438602 /nfs/dbraw/zinc/43/86/02/467438602.db2.gz ACDFJASBOWUIMR-AWEZNQCLSA-N 2 2 328.800 2.150 20 5 EEBDLP CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCC[NH2+]CC1 ZINC000435616190 467480687 /nfs/dbraw/zinc/48/06/87/467480687.db2.gz RTGJOBKQEAEYCX-AWEZNQCLSA-N 2 2 334.420 2.306 20 5 EEBDLP CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCC[NH2+]CC1 ZINC000435616190 467480691 /nfs/dbraw/zinc/48/06/91/467480691.db2.gz RTGJOBKQEAEYCX-AWEZNQCLSA-N 2 2 334.420 2.306 20 5 EEBDLP C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@@H](O)C[NH3+] ZINC000415073297 467482742 /nfs/dbraw/zinc/48/27/42/467482742.db2.gz YEKQOEPDQZKHCX-AWEZNQCLSA-N 2 2 349.362 2.278 20 5 EEBDLP C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@@H](O)C[NH3+] ZINC000415073297 467482746 /nfs/dbraw/zinc/48/27/46/467482746.db2.gz YEKQOEPDQZKHCX-AWEZNQCLSA-N 2 2 349.362 2.278 20 5 EEBDLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000582735202 468587781 /nfs/dbraw/zinc/58/77/81/468587781.db2.gz DMXYJKJWTCVFNF-RHSMWYFYSA-N 2 2 333.432 2.265 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NCC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596648317 469321625 /nfs/dbraw/zinc/32/16/25/469321625.db2.gz OZYYBSBZHZBVCO-OAHLLOKOSA-N 2 2 329.404 2.279 20 5 EEBDLP C[NH+](C)[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000447818430 536132661 /nfs/dbraw/zinc/13/26/61/536132661.db2.gz XARCTOUNWPRRHH-SFHVURJKSA-N 2 2 348.447 2.179 20 5 EEBDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000264205577 537117079 /nfs/dbraw/zinc/11/70/79/537117079.db2.gz QXEMITOGXWDDLC-UHFFFAOYSA-N 2 2 328.372 2.321 20 5 EEBDLP C[N@H+](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000749695097 577980148 /nfs/dbraw/zinc/98/01/48/577980148.db2.gz ZYCGVDAIPSNOBR-GOSISDBHSA-N 2 2 329.400 2.350 20 5 EEBDLP C[N@@H+](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000749695097 577980149 /nfs/dbraw/zinc/98/01/49/577980149.db2.gz ZYCGVDAIPSNOBR-GOSISDBHSA-N 2 2 329.400 2.350 20 5 EEBDLP CCOC(=O)C[N@H+](CCC[NH3+])[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246919806 1310468275 /nfs/dbraw/zinc/46/82/75/1310468275.db2.gz LFZBHBOTGGCVDW-INIZCTEOSA-N 2 2 349.431 2.056 20 5 EEBDLP CCOC(=O)C[N@@H+](CCC[NH3+])[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246919806 1310468282 /nfs/dbraw/zinc/46/82/82/1310468282.db2.gz LFZBHBOTGGCVDW-INIZCTEOSA-N 2 2 349.431 2.056 20 5 EEBDLP COc1cc(N2CCC([NH2+]CCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC001256082227 1318641158 /nfs/dbraw/zinc/64/11/58/1318641158.db2.gz BXAMLBFUBLTBCB-UHFFFAOYSA-N 2 2 345.403 2.059 20 5 EEBDLP CCc1cc(NC[C@](C)([NH3+])COC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265055975 247166940 /nfs/dbraw/zinc/16/69/40/247166940.db2.gz RBEZIRGRHLPBIE-KRWDZBQOSA-N 2 2 345.403 2.390 20 5 EEBDLP [NH3+][C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261688310 160408143 /nfs/dbraw/zinc/40/81/43/160408143.db2.gz CFPQKZZEXWJQCI-ZWKOTPCHSA-N 2 2 327.384 2.400 20 5 EEBDLP [NH3+][C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261688310 160408144 /nfs/dbraw/zinc/40/81/44/160408144.db2.gz CFPQKZZEXWJQCI-ZWKOTPCHSA-N 2 2 327.384 2.400 20 5 EEBDLP CC1(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279052266 269258828 /nfs/dbraw/zinc/25/88/28/269258828.db2.gz KGFBDLBBWFBGRB-PBHICJAKSA-N 2 2 333.432 2.364 20 5 EEBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000332452958 312009790 /nfs/dbraw/zinc/00/97/90/312009790.db2.gz MMEIDGYLHYGUKP-UHFFFAOYSA-N 2 2 335.795 2.304 20 5 EEBDLP CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448910254 315397890 /nfs/dbraw/zinc/39/78/90/315397890.db2.gz KXOKJRPCIBPRFH-UHFFFAOYSA-N 2 2 345.403 2.194 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139819504 463331632 /nfs/dbraw/zinc/33/16/32/463331632.db2.gz PWTOOYZTJQYGDL-RHSMWYFYSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139819504 463331635 /nfs/dbraw/zinc/33/16/35/463331635.db2.gz PWTOOYZTJQYGDL-RHSMWYFYSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139819504 463331640 /nfs/dbraw/zinc/33/16/40/463331640.db2.gz PWTOOYZTJQYGDL-RHSMWYFYSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139819504 463331644 /nfs/dbraw/zinc/33/16/44/463331644.db2.gz PWTOOYZTJQYGDL-RHSMWYFYSA-N 2 2 346.431 2.258 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000264616310 464395116 /nfs/dbraw/zinc/39/51/16/464395116.db2.gz LUBDDEXNRROETO-CYBMUJFWSA-N 2 2 343.387 2.455 20 5 EEBDLP CC1CC[NH+](C[C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000174863719 464459275 /nfs/dbraw/zinc/45/92/75/464459275.db2.gz FQAKUFPYDUHVGE-INIZCTEOSA-N 2 2 335.452 2.235 20 5 EEBDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000174863719 464459277 /nfs/dbraw/zinc/45/92/77/464459277.db2.gz FQAKUFPYDUHVGE-INIZCTEOSA-N 2 2 335.452 2.235 20 5 EEBDLP Cn1ccnc1[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000272470258 464622941 /nfs/dbraw/zinc/62/29/41/464622941.db2.gz AEEKSISXXQKUMJ-INIZCTEOSA-N 2 2 340.387 2.294 20 5 EEBDLP [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000285990036 464766350 /nfs/dbraw/zinc/76/63/50/464766350.db2.gz IDRAOOLUACAYKF-CQSZACIVSA-N 2 2 343.387 2.124 20 5 EEBDLP C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371303293 465702334 /nfs/dbraw/zinc/70/23/34/465702334.db2.gz NYXIGXYYRKUUAI-QAPCUYQASA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371303293 465702340 /nfs/dbraw/zinc/70/23/40/465702340.db2.gz NYXIGXYYRKUUAI-QAPCUYQASA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@@H](CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000353504605 465938442 /nfs/dbraw/zinc/93/84/42/465938442.db2.gz SHQGYPQSRSVWMR-SUMWQHHRSA-N 2 2 343.431 2.490 20 5 EEBDLP C[C@@H](CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000353504605 465938446 /nfs/dbraw/zinc/93/84/46/465938446.db2.gz SHQGYPQSRSVWMR-SUMWQHHRSA-N 2 2 343.431 2.490 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591578252 468485933 /nfs/dbraw/zinc/48/59/33/468485933.db2.gz GSURHVCANYFNRT-HOCLYGCPSA-N 2 2 329.404 2.149 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327068 466719347 /nfs/dbraw/zinc/71/93/47/466719347.db2.gz CTIBABVVIQDDHN-WMZOPIPTSA-N 2 2 343.431 2.397 20 5 EEBDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000377652106 467107166 /nfs/dbraw/zinc/10/71/66/467107166.db2.gz ZTPTWDRSDWGIDR-UHFFFAOYSA-N 2 2 331.376 2.075 20 5 EEBDLP [NH3+][C@@H]1CCC[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420284477 467338461 /nfs/dbraw/zinc/33/84/61/467338461.db2.gz OWROEHMMRUSVOZ-GOEBONIOSA-N 2 2 348.447 2.356 20 5 EEBDLP C[N@@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C[NH3+])C1 ZINC000514725529 467951146 /nfs/dbraw/zinc/95/11/46/467951146.db2.gz AETHKGLYEKCLRG-HNNXBMFYSA-N 2 2 346.456 2.398 20 5 EEBDLP C[N@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C[NH3+])C1 ZINC000514725529 467951149 /nfs/dbraw/zinc/95/11/49/467951149.db2.gz AETHKGLYEKCLRG-HNNXBMFYSA-N 2 2 346.456 2.398 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534019639 468231648 /nfs/dbraw/zinc/23/16/48/468231648.db2.gz SLXBYLVNFHUFNQ-CYBMUJFWSA-N 2 2 343.387 2.065 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534019639 468231652 /nfs/dbraw/zinc/23/16/52/468231652.db2.gz SLXBYLVNFHUFNQ-CYBMUJFWSA-N 2 2 343.387 2.065 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1c[nH+]c3n1CCCC3)OCCO2 ZINC000585744183 469023357 /nfs/dbraw/zinc/02/33/57/469023357.db2.gz YYPAJRUVXQGHTA-UHFFFAOYSA-N 2 2 344.371 2.189 20 5 EEBDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931721335 1207448710 /nfs/dbraw/zinc/44/87/10/1207448710.db2.gz MQHWERWYYOSBKZ-UONOGXRCSA-N 2 2 332.404 2.092 20 5 EEBDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931721335 1207448712 /nfs/dbraw/zinc/44/87/12/1207448712.db2.gz MQHWERWYYOSBKZ-UONOGXRCSA-N 2 2 332.404 2.092 20 5 EEBDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931721335 1207448716 /nfs/dbraw/zinc/44/87/16/1207448716.db2.gz MQHWERWYYOSBKZ-UONOGXRCSA-N 2 2 332.404 2.092 20 5 EEBDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000931721335 1207448718 /nfs/dbraw/zinc/44/87/18/1207448718.db2.gz MQHWERWYYOSBKZ-UONOGXRCSA-N 2 2 332.404 2.092 20 5 EEBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018711 803587138 /nfs/dbraw/zinc/58/71/38/803587138.db2.gz CDFKFSYNUWBQFN-ZSYWTGECSA-N 2 2 344.459 2.281 20 5 EEBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018711 803587143 /nfs/dbraw/zinc/58/71/43/803587143.db2.gz CDFKFSYNUWBQFN-ZSYWTGECSA-N 2 2 344.459 2.281 20 5 EEBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018711 803587147 /nfs/dbraw/zinc/58/71/47/803587147.db2.gz CDFKFSYNUWBQFN-ZSYWTGECSA-N 2 2 344.459 2.281 20 5 EEBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018711 803587151 /nfs/dbraw/zinc/58/71/51/803587151.db2.gz CDFKFSYNUWBQFN-ZSYWTGECSA-N 2 2 344.459 2.281 20 5 EEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245829099 160253087 /nfs/dbraw/zinc/25/30/87/160253087.db2.gz GBDUSUFFBYCNEE-WMLDXEAASA-N 2 2 344.415 2.316 20 5 EEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245829099 160253088 /nfs/dbraw/zinc/25/30/88/160253088.db2.gz GBDUSUFFBYCNEE-WMLDXEAASA-N 2 2 344.415 2.316 20 5 EEBDLP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C[NH3+])C1CC1 ZINC000359998880 164212078 /nfs/dbraw/zinc/21/20/78/164212078.db2.gz FOXVMLBSUOSSDM-OAHLLOKOSA-N 2 2 330.388 2.461 20 5 EEBDLP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C[NH3+])C1CC1 ZINC000359998880 164212081 /nfs/dbraw/zinc/21/20/81/164212081.db2.gz FOXVMLBSUOSSDM-OAHLLOKOSA-N 2 2 330.388 2.461 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000344549752 465666476 /nfs/dbraw/zinc/66/64/76/465666476.db2.gz ORZGLHPLDPLLPK-IBGZPJMESA-N 2 2 341.411 2.321 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000344549752 465666483 /nfs/dbraw/zinc/66/64/83/465666483.db2.gz ORZGLHPLDPLLPK-IBGZPJMESA-N 2 2 341.411 2.321 20 5 EEBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449399233 467639297 /nfs/dbraw/zinc/63/92/97/467639297.db2.gz YVFMATRACFNBMY-RDJZCZTQSA-N 2 2 335.448 2.352 20 5 EEBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449399233 467639298 /nfs/dbraw/zinc/63/92/98/467639298.db2.gz YVFMATRACFNBMY-RDJZCZTQSA-N 2 2 335.448 2.352 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000601113505 468746040 /nfs/dbraw/zinc/74/60/40/468746040.db2.gz HKFXVKFAAOZCQQ-ROUUACIJSA-N 2 2 342.399 2.178 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000601131400 468754967 /nfs/dbraw/zinc/75/49/67/468754967.db2.gz JPYACCBADOYKMY-AWEZNQCLSA-N 2 2 328.372 2.054 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593728940 469111895 /nfs/dbraw/zinc/11/18/95/469111895.db2.gz AZEMOZKQRIZFMN-CJNGLKHVSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593728940 469111902 /nfs/dbraw/zinc/11/19/02/469111902.db2.gz AZEMOZKQRIZFMN-CJNGLKHVSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593733367 469114162 /nfs/dbraw/zinc/11/41/62/469114162.db2.gz MAHXAYQZCPKJLO-GXTWGEPZSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593733367 469114173 /nfs/dbraw/zinc/11/41/73/469114173.db2.gz MAHXAYQZCPKJLO-GXTWGEPZSA-N 2 2 334.420 2.291 20 5 EEBDLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC2)C1 ZINC001158258845 1319117321 /nfs/dbraw/zinc/11/73/21/1319117321.db2.gz JXZAHKPIQWUWDY-AWEZNQCLSA-N 2 2 341.415 2.145 20 5 EEBDLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC2)C1 ZINC001158258845 1319117328 /nfs/dbraw/zinc/11/73/28/1319117328.db2.gz JXZAHKPIQWUWDY-AWEZNQCLSA-N 2 2 341.415 2.145 20 5 EEBDLP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342872897 161097008 /nfs/dbraw/zinc/09/70/08/161097008.db2.gz ITUYPOBVGVAIGC-CYBMUJFWSA-N 2 2 345.403 2.241 20 5 EEBDLP C[C@H]1C[C@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C ZINC000123813923 222335296 /nfs/dbraw/zinc/33/52/96/222335296.db2.gz TWKOSXUQVNSSIM-SWLSCSKDSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@H]1C[C@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1C ZINC000123813923 222335299 /nfs/dbraw/zinc/33/52/99/222335299.db2.gz TWKOSXUQVNSSIM-SWLSCSKDSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@H]1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[NH+]1C ZINC000123813923 222335301 /nfs/dbraw/zinc/33/53/01/222335301.db2.gz TWKOSXUQVNSSIM-SWLSCSKDSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[NH+]1C ZINC000123813923 222335304 /nfs/dbraw/zinc/33/53/04/222335304.db2.gz TWKOSXUQVNSSIM-SWLSCSKDSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246188770 278157335 /nfs/dbraw/zinc/15/73/35/278157335.db2.gz SVSUTVUQFMGGDY-KGLIPLIRSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246188770 278157338 /nfs/dbraw/zinc/15/73/38/278157338.db2.gz SVSUTVUQFMGGDY-KGLIPLIRSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246188770 278157339 /nfs/dbraw/zinc/15/73/39/278157339.db2.gz SVSUTVUQFMGGDY-KGLIPLIRSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246188770 278157340 /nfs/dbraw/zinc/15/73/40/278157340.db2.gz SVSUTVUQFMGGDY-KGLIPLIRSA-N 2 2 334.420 2.195 20 5 EEBDLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000355201545 465232978 /nfs/dbraw/zinc/23/29/78/465232978.db2.gz BGSRYUUMNHZPHH-HDMKZQKVSA-N 2 2 349.431 2.287 20 5 EEBDLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000355201545 465232984 /nfs/dbraw/zinc/23/29/84/465232984.db2.gz BGSRYUUMNHZPHH-HDMKZQKVSA-N 2 2 349.431 2.287 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152428483 463689392 /nfs/dbraw/zinc/68/93/92/463689392.db2.gz CPEQNJHXMIYQMW-CQSZACIVSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152428483 463689396 /nfs/dbraw/zinc/68/93/96/463689396.db2.gz CPEQNJHXMIYQMW-CQSZACIVSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152428483 463689398 /nfs/dbraw/zinc/68/93/98/463689398.db2.gz CPEQNJHXMIYQMW-CQSZACIVSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152428483 463689401 /nfs/dbraw/zinc/68/94/01/463689401.db2.gz CPEQNJHXMIYQMW-CQSZACIVSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000269138779 463888058 /nfs/dbraw/zinc/88/80/58/463888058.db2.gz YWGFHIKDLBJQDZ-UHFFFAOYSA-N 2 2 329.404 2.312 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000367697229 466499316 /nfs/dbraw/zinc/49/93/16/466499316.db2.gz CBELLQBEXQHYDO-GFCCVEGCSA-N 2 2 331.332 2.226 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000367697229 466499322 /nfs/dbraw/zinc/49/93/22/466499322.db2.gz CBELLQBEXQHYDO-GFCCVEGCSA-N 2 2 331.332 2.226 20 5 EEBDLP [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000591685115 468501932 /nfs/dbraw/zinc/50/19/32/468501932.db2.gz QZTHFODWZNRCMT-JSGCOSHPSA-N 2 2 343.387 2.028 20 5 EEBDLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423531257 466768559 /nfs/dbraw/zinc/76/85/59/466768559.db2.gz ZSKSFJFXGYBZIW-RBUKOAKNSA-N 2 2 340.427 2.177 20 5 EEBDLP CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435616196 467481022 /nfs/dbraw/zinc/48/10/22/467481022.db2.gz JPRPLPCKOQWYHM-AWEZNQCLSA-N 2 2 334.420 2.306 20 5 EEBDLP CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435616196 467481026 /nfs/dbraw/zinc/48/10/26/467481026.db2.gz JPRPLPCKOQWYHM-AWEZNQCLSA-N 2 2 334.420 2.306 20 5 EEBDLP CC[N@@H+]1CCC[C@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450220431 467802039 /nfs/dbraw/zinc/80/20/39/467802039.db2.gz ZBJDZBGYTLEADP-INIZCTEOSA-N 2 2 348.447 2.323 20 5 EEBDLP CC[N@H+]1CCC[C@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450220431 467802044 /nfs/dbraw/zinc/80/20/44/467802044.db2.gz ZBJDZBGYTLEADP-INIZCTEOSA-N 2 2 348.447 2.323 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600728247 468637983 /nfs/dbraw/zinc/63/79/83/468637983.db2.gz SQJPCFVERBGXPT-BXUZGUMPSA-N 2 2 347.337 2.433 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600728247 468637986 /nfs/dbraw/zinc/63/79/86/468637986.db2.gz SQJPCFVERBGXPT-BXUZGUMPSA-N 2 2 347.337 2.433 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000595007745 468742075 /nfs/dbraw/zinc/74/20/75/468742075.db2.gz JNDOURIGYFLRCQ-KGLIPLIRSA-N 2 2 337.420 2.222 20 5 EEBDLP Cc1cc(N[C@@H]2CC[NH2+][C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601980500 469126469 /nfs/dbraw/zinc/12/64/69/469126469.db2.gz LTVDTEIHEPZSSG-SMDDNHRTSA-N 2 2 327.388 2.335 20 5 EEBDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547698 469356310 /nfs/dbraw/zinc/35/63/10/469356310.db2.gz RSBWHLWMKMSXNS-MRXNPFEDSA-N 2 2 347.463 2.423 20 5 EEBDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547698 469356313 /nfs/dbraw/zinc/35/63/13/469356313.db2.gz RSBWHLWMKMSXNS-MRXNPFEDSA-N 2 2 347.463 2.423 20 5 EEBDLP Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000604508355 469485243 /nfs/dbraw/zinc/48/52/43/469485243.db2.gz FBCLDYHOZXHCQF-KBPBESRZSA-N 2 2 325.372 2.016 20 5 EEBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039947 577493341 /nfs/dbraw/zinc/49/33/41/577493341.db2.gz UIPBLPFAGFLVHJ-CQSZACIVSA-N 2 2 331.420 2.484 20 5 EEBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039947 577493342 /nfs/dbraw/zinc/49/33/42/577493342.db2.gz UIPBLPFAGFLVHJ-CQSZACIVSA-N 2 2 331.420 2.484 20 5 EEBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039947 577493343 /nfs/dbraw/zinc/49/33/43/577493343.db2.gz UIPBLPFAGFLVHJ-CQSZACIVSA-N 2 2 331.420 2.484 20 5 EEBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039947 577493344 /nfs/dbraw/zinc/49/33/44/577493344.db2.gz UIPBLPFAGFLVHJ-CQSZACIVSA-N 2 2 331.420 2.484 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794658 159352512 /nfs/dbraw/zinc/35/25/12/159352512.db2.gz PKDWQBFXBLZQRJ-UHFFFAOYSA-N 2 2 343.387 2.375 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842601 159368752 /nfs/dbraw/zinc/36/87/52/159368752.db2.gz SVSUTVUQFMGGDY-UONOGXRCSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842601 159368753 /nfs/dbraw/zinc/36/87/53/159368753.db2.gz SVSUTVUQFMGGDY-UONOGXRCSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842601 159368754 /nfs/dbraw/zinc/36/87/54/159368754.db2.gz SVSUTVUQFMGGDY-UONOGXRCSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842601 159368756 /nfs/dbraw/zinc/36/87/56/159368756.db2.gz SVSUTVUQFMGGDY-UONOGXRCSA-N 2 2 334.420 2.195 20 5 EEBDLP O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000564722067 319104309 /nfs/dbraw/zinc/10/43/09/319104309.db2.gz NBOVPHHBGYJBAY-AWEZNQCLSA-N 2 2 343.387 2.043 20 5 EEBDLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000566556501 319300281 /nfs/dbraw/zinc/30/02/81/319300281.db2.gz NXFGEMVIFNYZQW-AWEZNQCLSA-N 2 2 347.337 2.158 20 5 EEBDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000566556501 319300283 /nfs/dbraw/zinc/30/02/83/319300283.db2.gz NXFGEMVIFNYZQW-AWEZNQCLSA-N 2 2 347.337 2.158 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124316652 463408564 /nfs/dbraw/zinc/40/85/64/463408564.db2.gz HXJJKEOGEQEJKJ-CYBMUJFWSA-N 2 2 331.376 2.140 20 5 EEBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000358174198 466514005 /nfs/dbraw/zinc/51/40/05/466514005.db2.gz XXJNHPWOQOZMJR-KRWDZBQOSA-N 2 2 331.372 2.011 20 5 EEBDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000358174198 466514009 /nfs/dbraw/zinc/51/40/09/466514009.db2.gz XXJNHPWOQOZMJR-KRWDZBQOSA-N 2 2 331.372 2.011 20 5 EEBDLP Cn1cc[nH+]c1N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000597253613 468497670 /nfs/dbraw/zinc/49/76/70/468497670.db2.gz FGRKAFFQKJNYAN-GQCTYLIASA-N 2 2 327.388 2.164 20 5 EEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423416440 466744494 /nfs/dbraw/zinc/74/44/94/466744494.db2.gz QNELANWWUSJKKL-CXAGYDPISA-N 2 2 337.420 2.413 20 5 EEBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449399231 467639367 /nfs/dbraw/zinc/63/93/67/467639367.db2.gz YVFMATRACFNBMY-DOTOQJQBSA-N 2 2 335.448 2.352 20 5 EEBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449399231 467639370 /nfs/dbraw/zinc/63/93/70/467639370.db2.gz YVFMATRACFNBMY-DOTOQJQBSA-N 2 2 335.448 2.352 20 5 EEBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000765782382 577507030 /nfs/dbraw/zinc/50/70/30/577507030.db2.gz VYNBKQXFOMZGFV-HNNXBMFYSA-N 2 2 330.432 2.390 20 5 EEBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000765782382 577507031 /nfs/dbraw/zinc/50/70/31/577507031.db2.gz VYNBKQXFOMZGFV-HNNXBMFYSA-N 2 2 330.432 2.390 20 5 EEBDLP Cc1nn(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294578 577681243 /nfs/dbraw/zinc/68/12/43/577681243.db2.gz XVQRNEQEZXBDJH-CYBMUJFWSA-N 2 2 340.387 2.433 20 5 EEBDLP Cc1nn(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294578 577681244 /nfs/dbraw/zinc/68/12/44/577681244.db2.gz XVQRNEQEZXBDJH-CYBMUJFWSA-N 2 2 340.387 2.433 20 5 EEBDLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000748046846 577954139 /nfs/dbraw/zinc/95/41/39/577954139.db2.gz RVHIBIRHQJPOBJ-CYBMUJFWSA-N 2 2 334.445 2.246 20 5 EEBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000931441829 1207381798 /nfs/dbraw/zinc/38/17/98/1207381798.db2.gz YYNFWRALCGXBMF-QLFBSQMISA-N 2 2 346.431 2.114 20 5 EEBDLP Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000931441829 1207381799 /nfs/dbraw/zinc/38/17/99/1207381799.db2.gz YYNFWRALCGXBMF-QLFBSQMISA-N 2 2 346.431 2.114 20 5 EEBDLP Cc1c(NC(=O)[C@@H](C)[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000931441829 1207381801 /nfs/dbraw/zinc/38/18/01/1207381801.db2.gz YYNFWRALCGXBMF-QLFBSQMISA-N 2 2 346.431 2.114 20 5 EEBDLP Cc1c(NC(=O)[C@@H](C)[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000931441829 1207381804 /nfs/dbraw/zinc/38/18/04/1207381804.db2.gz YYNFWRALCGXBMF-QLFBSQMISA-N 2 2 346.431 2.114 20 5 EEBDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931722477 1207448509 /nfs/dbraw/zinc/44/85/09/1207448509.db2.gz IHYPLYSRHXPVDM-GOEBONIOSA-N 2 2 332.404 2.092 20 5 EEBDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931722477 1207448513 /nfs/dbraw/zinc/44/85/13/1207448513.db2.gz IHYPLYSRHXPVDM-GOEBONIOSA-N 2 2 332.404 2.092 20 5 EEBDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931722477 1207448516 /nfs/dbraw/zinc/44/85/16/1207448516.db2.gz IHYPLYSRHXPVDM-GOEBONIOSA-N 2 2 332.404 2.092 20 5 EEBDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000931722477 1207448519 /nfs/dbraw/zinc/44/85/19/1207448519.db2.gz IHYPLYSRHXPVDM-GOEBONIOSA-N 2 2 332.404 2.092 20 5 EEBDLP Cc1cn2cc(NC(=O)[C@](C)([NH3+])c3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC001579819240 1344418027 /nfs/dbraw/zinc/41/80/27/1344418027.db2.gz QWXSCCIKRJPNOF-QGZVFWFLSA-N 2 2 339.355 2.364 20 5 EEBDLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008248 803569467 /nfs/dbraw/zinc/56/94/67/803569467.db2.gz SKUUDBRLXHBCQC-CADBVGFASA-N 2 2 347.459 2.311 20 5 EEBDLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008248 803569471 /nfs/dbraw/zinc/56/94/71/803569471.db2.gz SKUUDBRLXHBCQC-CADBVGFASA-N 2 2 347.459 2.311 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427137093 241382405 /nfs/dbraw/zinc/38/24/05/241382405.db2.gz QXVQLFNXPQNTRN-GXFFZTMASA-N 2 2 327.331 2.380 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427137093 241382410 /nfs/dbraw/zinc/38/24/10/241382410.db2.gz QXVQLFNXPQNTRN-GXFFZTMASA-N 2 2 327.331 2.380 20 5 EEBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)CC1 ZINC000093132865 218196127 /nfs/dbraw/zinc/19/61/27/218196127.db2.gz XJBLNDGWTUDKJL-KRWDZBQOSA-N 2 2 332.448 2.115 20 5 EEBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)CC1 ZINC000093132865 218196130 /nfs/dbraw/zinc/19/61/30/218196130.db2.gz XJBLNDGWTUDKJL-KRWDZBQOSA-N 2 2 332.448 2.115 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000365489595 275038228 /nfs/dbraw/zinc/03/82/28/275038228.db2.gz FWUVIUBWTDCMCY-LZLYRXPVSA-N 2 2 331.416 2.425 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000365489595 275038231 /nfs/dbraw/zinc/03/82/31/275038231.db2.gz FWUVIUBWTDCMCY-LZLYRXPVSA-N 2 2 331.416 2.425 20 5 EEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000131214085 462798214 /nfs/dbraw/zinc/79/82/14/462798214.db2.gz GBDUSUFFBYCNEE-YOEHRIQHSA-N 2 2 344.415 2.316 20 5 EEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000131214085 462798222 /nfs/dbraw/zinc/79/82/22/462798222.db2.gz GBDUSUFFBYCNEE-YOEHRIQHSA-N 2 2 344.415 2.316 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536066735 468341745 /nfs/dbraw/zinc/34/17/45/468341745.db2.gz IRTCPDLWTPNQOU-CHWSQXEVSA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536066735 468341748 /nfs/dbraw/zinc/34/17/48/468341748.db2.gz IRTCPDLWTPNQOU-CHWSQXEVSA-N 2 2 343.387 2.145 20 5 EEBDLP CCCC[N@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000112309366 463697715 /nfs/dbraw/zinc/69/77/15/463697715.db2.gz UGWYCBORNBFSBY-UHFFFAOYSA-N 2 2 345.403 2.242 20 5 EEBDLP CCCC[N@@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000112309366 463697718 /nfs/dbraw/zinc/69/77/18/463697718.db2.gz UGWYCBORNBFSBY-UHFFFAOYSA-N 2 2 345.403 2.242 20 5 EEBDLP [NH3+][C@@H]1CCC[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420284475 467338430 /nfs/dbraw/zinc/33/84/30/467338430.db2.gz OWROEHMMRUSVOZ-GDBMZVCRSA-N 2 2 348.447 2.356 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600729079 468638406 /nfs/dbraw/zinc/63/84/06/468638406.db2.gz WORKWQHANTYVFS-VXGBXAGGSA-N 2 2 347.337 2.433 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600729079 468638408 /nfs/dbraw/zinc/63/84/08/468638408.db2.gz WORKWQHANTYVFS-VXGBXAGGSA-N 2 2 347.337 2.433 20 5 EEBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001251862928 1317510942 /nfs/dbraw/zinc/51/09/42/1317510942.db2.gz YMEBCIDIVUYNSN-UHFFFAOYSA-N 2 2 326.316 2.075 20 5 EEBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817906896 785061617 /nfs/dbraw/zinc/06/16/17/785061617.db2.gz GIYHTDPKIPSNEX-CWRNSKLLSA-N 2 2 339.823 2.495 20 5 EEBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001168996050 803562818 /nfs/dbraw/zinc/56/28/18/803562818.db2.gz UNWOHRDCESHZHR-DOTOQJQBSA-N 2 2 333.432 2.392 20 5 EEBDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022219 803588793 /nfs/dbraw/zinc/58/87/93/803588793.db2.gz QTRMHRQVIZCSEW-GJZGRUSLSA-N 2 2 349.479 2.329 20 5 EEBDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022219 803588796 /nfs/dbraw/zinc/58/87/96/803588796.db2.gz QTRMHRQVIZCSEW-GJZGRUSLSA-N 2 2 349.479 2.329 20 5 EEBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423087509 240359561 /nfs/dbraw/zinc/35/95/61/240359561.db2.gz OIFNCSDQKOEBLW-MFKMUULPSA-N 2 2 347.337 2.470 20 5 EEBDLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000290590837 275220980 /nfs/dbraw/zinc/22/09/80/275220980.db2.gz VFKMXGORMIJCPK-UHFFFAOYSA-N 2 2 334.376 2.331 20 5 EEBDLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000290590837 275220981 /nfs/dbraw/zinc/22/09/81/275220981.db2.gz VFKMXGORMIJCPK-UHFFFAOYSA-N 2 2 334.376 2.331 20 5 EEBDLP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448879311 315396356 /nfs/dbraw/zinc/39/63/56/315396356.db2.gz ZJHUQWIGEUOUKY-CYBMUJFWSA-N 2 2 345.403 2.241 20 5 EEBDLP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448879311 315396359 /nfs/dbraw/zinc/39/63/59/315396359.db2.gz ZJHUQWIGEUOUKY-CYBMUJFWSA-N 2 2 345.403 2.241 20 5 EEBDLP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000347105082 466396505 /nfs/dbraw/zinc/39/65/05/466396505.db2.gz MSGSDVVNTBKRBY-PBWFPOADSA-N 2 2 335.404 2.327 20 5 EEBDLP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000347105082 466396511 /nfs/dbraw/zinc/39/65/11/466396511.db2.gz MSGSDVVNTBKRBY-PBWFPOADSA-N 2 2 335.404 2.327 20 5 EEBDLP [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000591685114 468502380 /nfs/dbraw/zinc/50/23/80/468502380.db2.gz QZTHFODWZNRCMT-GXTWGEPZSA-N 2 2 343.387 2.028 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631705 466888072 /nfs/dbraw/zinc/88/80/72/466888072.db2.gz AFULTYGUKFHVCK-GDBMZVCRSA-N 2 2 330.388 2.241 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631705 466888076 /nfs/dbraw/zinc/88/80/76/466888076.db2.gz AFULTYGUKFHVCK-GDBMZVCRSA-N 2 2 330.388 2.241 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000377890104 467160636 /nfs/dbraw/zinc/16/06/36/467160636.db2.gz RVKSQPVQMIAFQR-LBPRGKRZSA-N 2 2 346.387 2.335 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000377890104 467160637 /nfs/dbraw/zinc/16/06/37/467160637.db2.gz RVKSQPVQMIAFQR-LBPRGKRZSA-N 2 2 346.387 2.335 20 5 EEBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000589497070 468156846 /nfs/dbraw/zinc/15/68/46/468156846.db2.gz MNRHMXVYFDAYRP-OAHLLOKOSA-N 2 2 344.371 2.415 20 5 EEBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000589497070 468156852 /nfs/dbraw/zinc/15/68/52/468156852.db2.gz MNRHMXVYFDAYRP-OAHLLOKOSA-N 2 2 344.371 2.415 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000559542092 468744465 /nfs/dbraw/zinc/74/44/65/468744465.db2.gz OATZGLAJAWMQTF-CYBMUJFWSA-N 2 2 343.387 2.146 20 5 EEBDLP C[N@H+](CCCn1cc[nH+]c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130637561 1201989253 /nfs/dbraw/zinc/98/92/53/1201989253.db2.gz KAXQYFRMTSKLBC-UHFFFAOYSA-N 2 2 341.375 2.029 20 5 EEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130637561 1201989255 /nfs/dbraw/zinc/98/92/55/1201989255.db2.gz KAXQYFRMTSKLBC-UHFFFAOYSA-N 2 2 341.375 2.029 20 5 EEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346151 1315895670 /nfs/dbraw/zinc/89/56/70/1315895670.db2.gz MGDNOHFKXATMNK-XHDPSFHLSA-N 2 2 338.383 2.264 20 5 EEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346151 1315895673 /nfs/dbraw/zinc/89/56/73/1315895673.db2.gz MGDNOHFKXATMNK-XHDPSFHLSA-N 2 2 338.383 2.264 20 5 EEBDLP Cn1c[nH+]cc1C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001308166185 1331569733 /nfs/dbraw/zinc/56/97/33/1331569733.db2.gz IBQOGENDWJVOQV-KRWDZBQOSA-N 2 2 330.388 2.241 20 5 EEBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069805408 159031198 /nfs/dbraw/zinc/03/11/98/159031198.db2.gz CJZJNHHLIDVPNY-INIZCTEOSA-N 2 2 349.431 2.018 20 5 EEBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069805408 159031199 /nfs/dbraw/zinc/03/11/99/159031199.db2.gz CJZJNHHLIDVPNY-INIZCTEOSA-N 2 2 349.431 2.018 20 5 EEBDLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000355201552 465232718 /nfs/dbraw/zinc/23/27/18/465232718.db2.gz BGSRYUUMNHZPHH-IIDMSEBBSA-N 2 2 349.431 2.287 20 5 EEBDLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000355201552 465232723 /nfs/dbraw/zinc/23/27/23/465232723.db2.gz BGSRYUUMNHZPHH-IIDMSEBBSA-N 2 2 349.431 2.287 20 5 EEBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344547050 465662127 /nfs/dbraw/zinc/66/21/27/465662127.db2.gz ZOCRUNNHYCSMQB-IBGZPJMESA-N 2 2 341.411 2.321 20 5 EEBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344547050 465662131 /nfs/dbraw/zinc/66/21/31/465662131.db2.gz ZOCRUNNHYCSMQB-IBGZPJMESA-N 2 2 341.411 2.321 20 5 EEBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000361261436 465869094 /nfs/dbraw/zinc/86/90/94/465869094.db2.gz DNCUFUKPYDSGLH-MLGOLLRUSA-N 2 2 329.404 2.387 20 5 EEBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000361261436 465869101 /nfs/dbraw/zinc/86/91/01/465869101.db2.gz DNCUFUKPYDSGLH-MLGOLLRUSA-N 2 2 329.404 2.387 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000361261436 465869104 /nfs/dbraw/zinc/86/91/04/465869104.db2.gz DNCUFUKPYDSGLH-MLGOLLRUSA-N 2 2 329.404 2.387 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000361261436 465869110 /nfs/dbraw/zinc/86/91/10/465869110.db2.gz DNCUFUKPYDSGLH-MLGOLLRUSA-N 2 2 329.404 2.387 20 5 EEBDLP CN(C)c1[nH+]cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC000419693542 467237652 /nfs/dbraw/zinc/23/76/52/467237652.db2.gz NMBJXWLDQDWWMG-UHFFFAOYSA-N 2 2 337.811 2.380 20 5 EEBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]4C[NH2+]C[C@H]43)o2)c1 ZINC000420345298 467372002 /nfs/dbraw/zinc/37/20/02/467372002.db2.gz VTGSGCORCJYFEP-GOEBONIOSA-N 2 2 342.399 2.476 20 5 EEBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]4C[NH2+]C[C@H]43)o2)c1 ZINC000420345298 467372006 /nfs/dbraw/zinc/37/20/06/467372006.db2.gz VTGSGCORCJYFEP-GOEBONIOSA-N 2 2 342.399 2.476 20 5 EEBDLP C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435624958 467482488 /nfs/dbraw/zinc/48/24/88/467482488.db2.gz YXODKPQBALFNEG-GFCCVEGCSA-N 2 2 340.811 2.261 20 5 EEBDLP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435624958 467482490 /nfs/dbraw/zinc/48/24/90/467482490.db2.gz YXODKPQBALFNEG-GFCCVEGCSA-N 2 2 340.811 2.261 20 5 EEBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532240654 468105234 /nfs/dbraw/zinc/10/52/34/468105234.db2.gz VEOLJJYAJDOANE-KGLIPLIRSA-N 2 2 334.420 2.243 20 5 EEBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532240654 468105236 /nfs/dbraw/zinc/10/52/36/468105236.db2.gz VEOLJJYAJDOANE-KGLIPLIRSA-N 2 2 334.420 2.243 20 5 EEBDLP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000601147437 468760982 /nfs/dbraw/zinc/76/09/82/468760982.db2.gz NIKOIDLFCDMLDD-OLZOCXBDSA-N 2 2 330.388 2.034 20 5 EEBDLP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000601147437 468760986 /nfs/dbraw/zinc/76/09/86/468760986.db2.gz NIKOIDLFCDMLDD-OLZOCXBDSA-N 2 2 330.388 2.034 20 5 EEBDLP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000593315562 468936553 /nfs/dbraw/zinc/93/65/53/468936553.db2.gz LLAHWPXTSNKCMB-GUYCJALGSA-N 2 2 335.404 2.173 20 5 EEBDLP COc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000593315562 468936554 /nfs/dbraw/zinc/93/65/54/468936554.db2.gz LLAHWPXTSNKCMB-GUYCJALGSA-N 2 2 335.404 2.173 20 5 EEBDLP C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000589188983 469210079 /nfs/dbraw/zinc/21/00/79/469210079.db2.gz YFYGEWHWIIUVKD-YIONKMFJSA-N 2 2 347.415 2.423 20 5 EEBDLP C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000589188983 469210086 /nfs/dbraw/zinc/21/00/86/469210086.db2.gz YFYGEWHWIIUVKD-YIONKMFJSA-N 2 2 347.415 2.423 20 5 EEBDLP C[NH+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000589188983 469210090 /nfs/dbraw/zinc/21/00/90/469210090.db2.gz YFYGEWHWIIUVKD-YIONKMFJSA-N 2 2 347.415 2.423 20 5 EEBDLP C[NH+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000589188983 469210096 /nfs/dbraw/zinc/21/00/96/469210096.db2.gz YFYGEWHWIIUVKD-YIONKMFJSA-N 2 2 347.415 2.423 20 5 EEBDLP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570710 1201526342 /nfs/dbraw/zinc/52/63/42/1201526342.db2.gz ZUYRMIHTXTWLRT-INIZCTEOSA-N 2 2 340.387 2.327 20 5 EEBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902488922 1237702668 /nfs/dbraw/zinc/70/26/68/1237702668.db2.gz OKSROQCWILGMCP-ZFWWWQNUSA-N 2 2 334.420 2.434 20 5 EEBDLP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000799995653 1305531670 /nfs/dbraw/zinc/53/16/70/1305531670.db2.gz RWUCVCOEPVIQQT-CQSZACIVSA-N 2 2 334.420 2.387 20 5 EEBDLP COc1cc([N+](=O)[O-])c(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1F ZINC001164212763 1321320152 /nfs/dbraw/zinc/32/01/52/1321320152.db2.gz BNIGNHOJBBCTFZ-UHFFFAOYSA-N 2 2 340.399 2.180 20 5 EEBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001168737037 802211990 /nfs/dbraw/zinc/21/19/90/802211990.db2.gz NFZXGQQDBROZNE-UHFFFAOYSA-N 2 2 331.298 2.208 20 5 EEBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320155 154051451 /nfs/dbraw/zinc/05/14/51/154051451.db2.gz GCKAHWXCCCHCKR-ZDUSSCGKSA-N 2 2 344.419 2.241 20 5 EEBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320155 154051455 /nfs/dbraw/zinc/05/14/55/154051455.db2.gz GCKAHWXCCCHCKR-ZDUSSCGKSA-N 2 2 344.419 2.241 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000346326222 161363544 /nfs/dbraw/zinc/36/35/44/161363544.db2.gz KDEVABHUHBRQRJ-DVOMOZLQSA-N 2 2 334.420 2.384 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000346326222 161363545 /nfs/dbraw/zinc/36/35/45/161363545.db2.gz KDEVABHUHBRQRJ-DVOMOZLQSA-N 2 2 334.420 2.384 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000346327855 161363724 /nfs/dbraw/zinc/36/37/24/161363724.db2.gz IRNOIJYWMPOLFB-WWGRRREGSA-N 2 2 334.420 2.384 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000346327855 161363725 /nfs/dbraw/zinc/36/37/25/161363725.db2.gz IRNOIJYWMPOLFB-WWGRRREGSA-N 2 2 334.420 2.384 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293109098 293127822 /nfs/dbraw/zinc/12/78/22/293127822.db2.gz YILBICJHNRKTBD-KBXCAEBGSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293109098 293127829 /nfs/dbraw/zinc/12/78/29/293127829.db2.gz YILBICJHNRKTBD-KBXCAEBGSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293109098 293127831 /nfs/dbraw/zinc/12/78/31/293127831.db2.gz YILBICJHNRKTBD-KBXCAEBGSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293109098 293127834 /nfs/dbraw/zinc/12/78/34/293127834.db2.gz YILBICJHNRKTBD-KBXCAEBGSA-N 2 2 346.431 2.340 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423549572 294413465 /nfs/dbraw/zinc/41/34/65/294413465.db2.gz HUBOYVYCKPONEX-INIZCTEOSA-N 2 2 329.404 2.149 20 5 EEBDLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237928099 464404816 /nfs/dbraw/zinc/40/48/16/464404816.db2.gz UKHYSSDIQDPJAH-UONOGXRCSA-N 2 2 343.387 2.028 20 5 EEBDLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000238020463 464419083 /nfs/dbraw/zinc/41/90/83/464419083.db2.gz UKHYSSDIQDPJAH-ZIAGYGMSSA-N 2 2 343.387 2.028 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423367644 466730203 /nfs/dbraw/zinc/73/02/03/466730203.db2.gz YQQYLEBUPJFEMW-ZBFHGGJFSA-N 2 2 329.404 2.149 20 5 EEBDLP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420245296 467329234 /nfs/dbraw/zinc/32/92/34/467329234.db2.gz ZSAFCUMZFCDFLG-KBPBESRZSA-N 2 2 327.388 2.464 20 5 EEBDLP COc1cc(C[N@H+](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430632406 467453647 /nfs/dbraw/zinc/45/36/47/467453647.db2.gz XJEBYSIXYVPBIR-UHFFFAOYSA-N 2 2 345.346 2.389 20 5 EEBDLP COc1cc(C[N@@H+](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430632406 467453652 /nfs/dbraw/zinc/45/36/52/467453652.db2.gz XJEBYSIXYVPBIR-UHFFFAOYSA-N 2 2 345.346 2.389 20 5 EEBDLP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600729076 468638419 /nfs/dbraw/zinc/63/84/19/468638419.db2.gz WORKWQHANTYVFS-NWDGAFQWSA-N 2 2 347.337 2.433 20 5 EEBDLP [NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600729076 468638420 /nfs/dbraw/zinc/63/84/20/468638420.db2.gz WORKWQHANTYVFS-NWDGAFQWSA-N 2 2 347.337 2.433 20 5 EEBDLP Cc1c(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000595512974 468883172 /nfs/dbraw/zinc/88/31/72/468883172.db2.gz ZYPOHFKLPDQBKB-UHFFFAOYSA-N 2 2 335.448 2.476 20 5 EEBDLP COc1cc(C[NH2+][C@@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430596742 485704631 /nfs/dbraw/zinc/70/46/31/485704631.db2.gz OZYYWTKGBSAFAU-HNNXBMFYSA-N 2 2 345.346 2.422 20 5 EEBDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]2C1 ZINC000931442237 1207382129 /nfs/dbraw/zinc/38/21/29/1207382129.db2.gz ZKROLEONDYRPLH-OLZOCXBDSA-N 2 2 343.387 2.028 20 5 EEBDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]2C1 ZINC000931442237 1207382132 /nfs/dbraw/zinc/38/21/32/1207382132.db2.gz ZKROLEONDYRPLH-OLZOCXBDSA-N 2 2 343.387 2.028 20 5 EEBDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]2C1 ZINC000931442237 1207382136 /nfs/dbraw/zinc/38/21/36/1207382136.db2.gz ZKROLEONDYRPLH-OLZOCXBDSA-N 2 2 343.387 2.028 20 5 EEBDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]2C1 ZINC000931442237 1207382140 /nfs/dbraw/zinc/38/21/40/1207382140.db2.gz ZKROLEONDYRPLH-OLZOCXBDSA-N 2 2 343.387 2.028 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902489527 1237704273 /nfs/dbraw/zinc/70/42/73/1237704273.db2.gz QVQKDDOONDJTTE-HIFRSBDPSA-N 2 2 334.420 2.434 20 5 EEBDLP COCC[N@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH+](C)CC1 ZINC001254598049 1318139160 /nfs/dbraw/zinc/13/91/60/1318139160.db2.gz GXZYTQROCCJIJF-GOSISDBHSA-N 2 2 333.432 2.105 20 5 EEBDLP COCC[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH+](C)CC1 ZINC001254598049 1318139167 /nfs/dbraw/zinc/13/91/67/1318139167.db2.gz GXZYTQROCCJIJF-GOSISDBHSA-N 2 2 333.432 2.105 20 5 EEBDLP Cc1cn2cc(NC(=O)[C@@](C)([NH3+])c3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC001579819239 1344417978 /nfs/dbraw/zinc/41/79/78/1344417978.db2.gz QWXSCCIKRJPNOF-KRWDZBQOSA-N 2 2 339.355 2.364 20 5 EEBDLP O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788381620 807507117 /nfs/dbraw/zinc/50/71/17/807507117.db2.gz GACXRGPCRHRUNZ-UHFFFAOYSA-N 2 2 330.392 2.161 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000067612677 215168868 /nfs/dbraw/zinc/16/88/68/215168868.db2.gz DEVGSHOTXDPCLT-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000067612677 215168870 /nfs/dbraw/zinc/16/88/70/215168870.db2.gz DEVGSHOTXDPCLT-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP C[NH+](C)C1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC1 ZINC000447811116 242320358 /nfs/dbraw/zinc/32/03/58/242320358.db2.gz CPIIILFSUBFJRI-UHFFFAOYSA-N 2 2 348.447 2.323 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000352617758 162213559 /nfs/dbraw/zinc/21/35/59/162213559.db2.gz IOTCTNOUXXWJNP-KBRIMQKVSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000352617758 162213562 /nfs/dbraw/zinc/21/35/62/162213562.db2.gz IOTCTNOUXXWJNP-KBRIMQKVSA-N 2 2 337.395 2.417 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000279623440 269295691 /nfs/dbraw/zinc/29/56/91/269295691.db2.gz BCKFJCAOIJVPQY-CQSZACIVSA-N 2 2 332.404 2.163 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000279623440 269295693 /nfs/dbraw/zinc/29/56/93/269295693.db2.gz BCKFJCAOIJVPQY-CQSZACIVSA-N 2 2 332.404 2.163 20 5 EEBDLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566106468 319245084 /nfs/dbraw/zinc/24/50/84/319245084.db2.gz QWSGUZLGGAJBHS-AWEZNQCLSA-N 2 2 334.420 2.387 20 5 EEBDLP C[C@H](C[NH+]1CCCCC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566106469 319245164 /nfs/dbraw/zinc/24/51/64/319245164.db2.gz QWSGUZLGGAJBHS-CQSZACIVSA-N 2 2 334.420 2.387 20 5 EEBDLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000572406986 319843644 /nfs/dbraw/zinc/84/36/44/319843644.db2.gz ZBRDUMOCCQOPNW-UHFFFAOYSA-N 2 2 341.415 2.448 20 5 EEBDLP CCOc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000276902355 463800089 /nfs/dbraw/zinc/80/00/89/463800089.db2.gz LVDWDNGIQFZLDN-UHFFFAOYSA-N 2 2 345.403 2.049 20 5 EEBDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000173613979 464293521 /nfs/dbraw/zinc/29/35/21/464293521.db2.gz KWSNZHVUDCIKRE-ZDUSSCGKSA-N 2 2 334.420 2.384 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000272470263 464623101 /nfs/dbraw/zinc/62/31/01/464623101.db2.gz AEEKSISXXQKUMJ-MRXNPFEDSA-N 2 2 340.387 2.294 20 5 EEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000254991280 465021599 /nfs/dbraw/zinc/02/15/99/465021599.db2.gz GHOZQYHWDLAGPK-IMMZDGJCSA-N 2 2 331.416 2.262 20 5 EEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000254991280 465021602 /nfs/dbraw/zinc/02/16/02/465021602.db2.gz GHOZQYHWDLAGPK-IMMZDGJCSA-N 2 2 331.416 2.262 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000363394358 466374563 /nfs/dbraw/zinc/37/45/63/466374563.db2.gz AIIMAIPTANOCKA-CYBMUJFWSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000373462113 466812041 /nfs/dbraw/zinc/81/20/41/466812041.db2.gz YGERPJFVBWNYPJ-GOEBONIOSA-N 2 2 343.431 2.329 20 5 EEBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000373462113 466812044 /nfs/dbraw/zinc/81/20/44/466812044.db2.gz YGERPJFVBWNYPJ-GOEBONIOSA-N 2 2 343.431 2.329 20 5 EEBDLP C[C@@H]1C[N@@H+](CCCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000413037194 467158824 /nfs/dbraw/zinc/15/88/24/467158824.db2.gz FNSUBNILCUXJHV-OKILXGFUSA-N 2 2 344.415 3.054 20 5 EEBDLP C[C@@H]1C[N@H+](CCCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000413037194 467158825 /nfs/dbraw/zinc/15/88/25/467158825.db2.gz FNSUBNILCUXJHV-OKILXGFUSA-N 2 2 344.415 3.054 20 5 EEBDLP C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C[NH3+] ZINC000420401783 467395891 /nfs/dbraw/zinc/39/58/91/467395891.db2.gz JKZQBJCDVBOCAS-YPMHNXCESA-N 2 2 331.376 2.062 20 5 EEBDLP C[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C[NH3+] ZINC000420401783 467395895 /nfs/dbraw/zinc/39/58/95/467395895.db2.gz JKZQBJCDVBOCAS-YPMHNXCESA-N 2 2 331.376 2.062 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430555196 467439718 /nfs/dbraw/zinc/43/97/18/467439718.db2.gz OJAFMBPUNAGRIM-HZSPNIEDSA-N 2 2 334.420 2.289 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430555196 467439719 /nfs/dbraw/zinc/43/97/19/467439719.db2.gz OJAFMBPUNAGRIM-HZSPNIEDSA-N 2 2 334.420 2.289 20 5 EEBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)o2)cc1 ZINC000415037875 467473174 /nfs/dbraw/zinc/47/31/74/467473174.db2.gz LLVZUNCLVTXPIZ-INIZCTEOSA-N 2 2 331.372 2.323 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600726526 468637181 /nfs/dbraw/zinc/63/71/81/468637181.db2.gz LTEKHGGTZTUORR-RISCZKNCSA-N 2 2 347.337 2.433 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600726526 468637186 /nfs/dbraw/zinc/63/71/86/468637186.db2.gz LTEKHGGTZTUORR-RISCZKNCSA-N 2 2 347.337 2.433 20 5 EEBDLP Cc1c(NC(=O)CC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000572199704 468899461 /nfs/dbraw/zinc/89/94/61/468899461.db2.gz JNCRWSRAJDUSQD-LSDHHAIUSA-N 2 2 346.431 2.400 20 5 EEBDLP Cc1c(NC(=O)CC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000572199704 468899463 /nfs/dbraw/zinc/89/94/63/468899463.db2.gz JNCRWSRAJDUSQD-LSDHHAIUSA-N 2 2 346.431 2.400 20 5 EEBDLP Cc1c(NC(=O)CC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cccc1[N+](=O)[O-] ZINC000572199704 468899466 /nfs/dbraw/zinc/89/94/66/468899466.db2.gz JNCRWSRAJDUSQD-LSDHHAIUSA-N 2 2 346.431 2.400 20 5 EEBDLP Cc1c(NC(=O)CC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cccc1[N+](=O)[O-] ZINC000572199704 468899471 /nfs/dbraw/zinc/89/94/71/468899471.db2.gz JNCRWSRAJDUSQD-LSDHHAIUSA-N 2 2 346.431 2.400 20 5 EEBDLP Cn1cc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598718034 468972162 /nfs/dbraw/zinc/97/21/62/468972162.db2.gz IXDMODXSKCVYHV-QAPCUYQASA-N 2 2 341.415 2.309 20 5 EEBDLP Cn1cc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598718034 468972164 /nfs/dbraw/zinc/97/21/64/468972164.db2.gz IXDMODXSKCVYHV-QAPCUYQASA-N 2 2 341.415 2.309 20 5 EEBDLP Cc1cc(NCCC[NH2+]C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601980824 469125957 /nfs/dbraw/zinc/12/59/57/469125957.db2.gz PTHGHWJTGMUPIJ-UHFFFAOYSA-N 2 2 327.388 2.336 20 5 EEBDLP COc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1C ZINC000596150753 469175339 /nfs/dbraw/zinc/17/53/39/469175339.db2.gz KMFMZMIMKLKAEZ-UHFFFAOYSA-N 2 2 336.436 2.350 20 5 EEBDLP C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000776590542 577463577 /nfs/dbraw/zinc/46/35/77/577463577.db2.gz HEFKPHSKALLHOK-XYPHTWIQSA-N 2 2 330.388 2.408 20 5 EEBDLP C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000776590542 577463578 /nfs/dbraw/zinc/46/35/78/577463578.db2.gz HEFKPHSKALLHOK-XYPHTWIQSA-N 2 2 330.388 2.408 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000755793359 577831616 /nfs/dbraw/zinc/83/16/16/577831616.db2.gz ZGJSIMFYVHKQBL-ZDUSSCGKSA-N 2 2 326.360 2.125 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000755793359 577831617 /nfs/dbraw/zinc/83/16/17/577831617.db2.gz ZGJSIMFYVHKQBL-ZDUSSCGKSA-N 2 2 326.360 2.125 20 5 EEBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886140955 1202476798 /nfs/dbraw/zinc/47/67/98/1202476798.db2.gz SWOHRHJOQGRRGU-GDBMZVCRSA-N 2 2 336.436 2.216 20 5 EEBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886140955 1202476800 /nfs/dbraw/zinc/47/68/00/1202476800.db2.gz SWOHRHJOQGRRGU-GDBMZVCRSA-N 2 2 336.436 2.216 20 5 EEBDLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC2)C1 ZINC001158258846 1319117731 /nfs/dbraw/zinc/11/77/31/1319117731.db2.gz JXZAHKPIQWUWDY-CQSZACIVSA-N 2 2 341.415 2.145 20 5 EEBDLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC2)C1 ZINC001158258846 1319117745 /nfs/dbraw/zinc/11/77/45/1319117745.db2.gz JXZAHKPIQWUWDY-CQSZACIVSA-N 2 2 341.415 2.145 20 5 EEBDLP [NH3+]C[C@]1(Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160509876 1320179722 /nfs/dbraw/zinc/17/97/22/1320179722.db2.gz CAYCYQQZVRCAAH-ZDUSSCGKSA-N 2 2 346.218 2.132 20 5 EEBDLP CCOc1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164211238 1321318858 /nfs/dbraw/zinc/31/88/58/1321318858.db2.gz LYEJXJXOKDKVGH-UHFFFAOYSA-N 2 2 336.436 2.431 20 5 EEBDLP Cc1[nH+]c2c(n1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165352963 1321507282 /nfs/dbraw/zinc/50/72/82/1321507282.db2.gz JPZMKSYREQYQTB-UHFFFAOYSA-N 2 2 342.186 2.479 20 5 EEBDLP [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCCC1 ZINC001580151027 1403837669 /nfs/dbraw/zinc/83/76/69/1403837669.db2.gz JRDRAIVNUNBDCP-UHFFFAOYSA-N 2 2 343.387 2.172 20 5 EEBDLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008249 803569411 /nfs/dbraw/zinc/56/94/11/803569411.db2.gz SKUUDBRLXHBCQC-YDZRNGNQSA-N 2 2 347.459 2.311 20 5 EEBDLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008249 803569415 /nfs/dbraw/zinc/56/94/15/803569415.db2.gz SKUUDBRLXHBCQC-YDZRNGNQSA-N 2 2 347.459 2.311 20 5 EEBDLP CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000236635298 242301640 /nfs/dbraw/zinc/30/16/40/242301640.db2.gz KLDQYJZUGGYGIH-CQSZACIVSA-N 2 2 345.403 2.226 20 5 EEBDLP Cc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326123503 465034511 /nfs/dbraw/zinc/03/45/11/465034511.db2.gz GIFAOLAWMWJOPQ-CQSZACIVSA-N 2 2 329.404 2.109 20 5 EEBDLP Cc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326123503 465034517 /nfs/dbraw/zinc/03/45/17/465034517.db2.gz GIFAOLAWMWJOPQ-CQSZACIVSA-N 2 2 329.404 2.109 20 5 EEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000047671890 462812318 /nfs/dbraw/zinc/81/23/18/462812318.db2.gz SZMLQVRKHVYWRN-UHFFFAOYSA-N 2 2 349.435 2.085 20 5 EEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000047671890 462812322 /nfs/dbraw/zinc/81/23/22/462812322.db2.gz SZMLQVRKHVYWRN-UHFFFAOYSA-N 2 2 349.435 2.085 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140032216 463336330 /nfs/dbraw/zinc/33/63/30/463336330.db2.gz XGCITRUAKORYSF-JJRVBVJISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140032216 463336334 /nfs/dbraw/zinc/33/63/34/463336334.db2.gz XGCITRUAKORYSF-JJRVBVJISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140032216 463336338 /nfs/dbraw/zinc/33/63/38/463336338.db2.gz XGCITRUAKORYSF-JJRVBVJISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000140032216 463336343 /nfs/dbraw/zinc/33/63/43/463336343.db2.gz XGCITRUAKORYSF-JJRVBVJISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000264616312 464395229 /nfs/dbraw/zinc/39/52/29/464395229.db2.gz LUBDDEXNRROETO-ZDUSSCGKSA-N 2 2 343.387 2.455 20 5 EEBDLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C1)CCCC2 ZINC000432083033 467214218 /nfs/dbraw/zinc/21/42/18/467214218.db2.gz VMVBPUFEMFESQB-ZDUSSCGKSA-N 2 2 344.419 2.159 20 5 EEBDLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C1)CCCC2 ZINC000432083033 467214224 /nfs/dbraw/zinc/21/42/24/467214224.db2.gz VMVBPUFEMFESQB-ZDUSSCGKSA-N 2 2 344.419 2.159 20 5 EEBDLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451847169 467272073 /nfs/dbraw/zinc/27/20/73/467272073.db2.gz SLTTYKSJYVCPFH-ZDUSSCGKSA-N 2 2 345.403 2.239 20 5 EEBDLP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451847169 467272077 /nfs/dbraw/zinc/27/20/77/467272077.db2.gz SLTTYKSJYVCPFH-ZDUSSCGKSA-N 2 2 345.403 2.239 20 5 EEBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420375185 467384513 /nfs/dbraw/zinc/38/45/13/467384513.db2.gz SUJMVGISHFNRIP-CYBMUJFWSA-N 2 2 340.811 2.164 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430563472 467440353 /nfs/dbraw/zinc/44/03/53/467440353.db2.gz WBNZJLBQOFVHHO-KGLIPLIRSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430563472 467440356 /nfs/dbraw/zinc/44/03/56/467440356.db2.gz WBNZJLBQOFVHHO-KGLIPLIRSA-N 2 2 332.404 2.058 20 5 EEBDLP C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435614369 467481131 /nfs/dbraw/zinc/48/11/31/467481131.db2.gz MLCYFCCJERYHRW-ZDUSSCGKSA-N 2 2 331.376 2.219 20 5 EEBDLP C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435614369 467481136 /nfs/dbraw/zinc/48/11/36/467481136.db2.gz MLCYFCCJERYHRW-ZDUSSCGKSA-N 2 2 331.376 2.219 20 5 EEBDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000520219565 468235009 /nfs/dbraw/zinc/23/50/09/468235009.db2.gz HOCFXUVXSURJOL-CQSZACIVSA-N 2 2 334.420 2.387 20 5 EEBDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000520219565 468235016 /nfs/dbraw/zinc/23/50/16/468235016.db2.gz HOCFXUVXSURJOL-CQSZACIVSA-N 2 2 334.420 2.387 20 5 EEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595390995 468836767 /nfs/dbraw/zinc/83/67/67/468836767.db2.gz AXSMFSBRTAPVKQ-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595390995 468836768 /nfs/dbraw/zinc/83/67/68/468836768.db2.gz AXSMFSBRTAPVKQ-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP CN(CC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000595390995 468836770 /nfs/dbraw/zinc/83/67/70/468836770.db2.gz AXSMFSBRTAPVKQ-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP CN(CC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000595390995 468836772 /nfs/dbraw/zinc/83/67/72/468836772.db2.gz AXSMFSBRTAPVKQ-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(n3cc[nH+]c3)CC1)OCCO2 ZINC000611266518 469214373 /nfs/dbraw/zinc/21/43/73/469214373.db2.gz ONYMVFMWKLRQCW-UHFFFAOYSA-N 2 2 344.371 2.400 20 5 EEBDLP Cc1nn(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501834 577557019 /nfs/dbraw/zinc/55/70/19/577557019.db2.gz XCVAQDISXBFMIP-CZUORRHYSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501834 577557020 /nfs/dbraw/zinc/55/70/20/577557020.db2.gz XCVAQDISXBFMIP-CZUORRHYSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501834 577557021 /nfs/dbraw/zinc/55/70/21/577557021.db2.gz XCVAQDISXBFMIP-CZUORRHYSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501834 577557022 /nfs/dbraw/zinc/55/70/22/577557022.db2.gz XCVAQDISXBFMIP-CZUORRHYSA-N 2 2 344.419 2.022 20 5 EEBDLP COc1c(O)ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000892623876 682000379 /nfs/dbraw/zinc/00/03/79/682000379.db2.gz RAPDOOBSDQETDQ-UHFFFAOYSA-N 2 2 335.404 2.273 20 5 EEBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000892669868 682207356 /nfs/dbraw/zinc/20/73/56/682207356.db2.gz LPCRQXSIVZNXSD-UHFFFAOYSA-N 2 2 327.812 2.185 20 5 EEBDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1nccc1[N+](=O)[O-] ZINC000173512785 765573295 /nfs/dbraw/zinc/57/32/95/765573295.db2.gz HWJSGWKMCLLNLC-UHFFFAOYSA-N 2 2 344.419 2.382 20 5 EEBDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1nccc1[N+](=O)[O-] ZINC000173512785 765573301 /nfs/dbraw/zinc/57/33/01/765573301.db2.gz HWJSGWKMCLLNLC-UHFFFAOYSA-N 2 2 344.419 2.382 20 5 EEBDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266544529 248353325 /nfs/dbraw/zinc/35/33/25/248353325.db2.gz RMZXMHJCBITWRU-HNNXBMFYSA-N 2 2 348.447 2.142 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843533 221194647 /nfs/dbraw/zinc/19/46/47/221194647.db2.gz ZNXPUFAKZUAEHT-UONOGXRCSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843533 221194649 /nfs/dbraw/zinc/19/46/49/221194649.db2.gz ZNXPUFAKZUAEHT-UONOGXRCSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843533 221194654 /nfs/dbraw/zinc/19/46/54/221194654.db2.gz ZNXPUFAKZUAEHT-UONOGXRCSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843533 221194655 /nfs/dbraw/zinc/19/46/55/221194655.db2.gz ZNXPUFAKZUAEHT-UONOGXRCSA-N 2 2 334.420 2.195 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000140037519 463336443 /nfs/dbraw/zinc/33/64/43/463336443.db2.gz UQNZSOBPFIXRIX-PBHICJAKSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140037519 463336446 /nfs/dbraw/zinc/33/64/46/463336446.db2.gz UQNZSOBPFIXRIX-PBHICJAKSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000140037519 463336450 /nfs/dbraw/zinc/33/64/50/463336450.db2.gz UQNZSOBPFIXRIX-PBHICJAKSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000140037519 463336453 /nfs/dbraw/zinc/33/64/53/463336453.db2.gz UQNZSOBPFIXRIX-PBHICJAKSA-N 2 2 346.431 2.258 20 5 EEBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182377360 464639898 /nfs/dbraw/zinc/63/98/98/464639898.db2.gz LGHIEIXARXJFRU-UHFFFAOYSA-N 2 2 340.855 2.318 20 5 EEBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182377360 464639902 /nfs/dbraw/zinc/63/99/02/464639902.db2.gz LGHIEIXARXJFRU-UHFFFAOYSA-N 2 2 340.855 2.318 20 5 EEBDLP O=[N+]([O-])c1cnn(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000361062532 465738773 /nfs/dbraw/zinc/73/87/73/465738773.db2.gz MKTWJCBNXVQJMZ-UHFFFAOYSA-N 2 2 332.408 2.180 20 5 EEBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423576985 466776857 /nfs/dbraw/zinc/77/68/57/466776857.db2.gz RQZMKKUZSSQARS-OLZOCXBDSA-N 2 2 325.434 2.044 20 5 EEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420294350 467341826 /nfs/dbraw/zinc/34/18/26/467341826.db2.gz SNALTMQFDPTQND-CYBMUJFWSA-N 2 2 342.827 2.492 20 5 EEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420294350 467341828 /nfs/dbraw/zinc/34/18/28/467341828.db2.gz SNALTMQFDPTQND-CYBMUJFWSA-N 2 2 342.827 2.492 20 5 EEBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420370984 467382678 /nfs/dbraw/zinc/38/26/78/467382678.db2.gz WMOKHYOQDWALBP-CYBMUJFWSA-N 2 2 340.811 2.164 20 5 EEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430557638 467439829 /nfs/dbraw/zinc/43/98/29/467439829.db2.gz TYWQKJLOIBYDJW-CQSZACIVSA-N 2 2 333.392 2.450 20 5 EEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430557638 467439831 /nfs/dbraw/zinc/43/98/31/467439831.db2.gz TYWQKJLOIBYDJW-CQSZACIVSA-N 2 2 333.392 2.450 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000453267283 467473758 /nfs/dbraw/zinc/47/37/58/467473758.db2.gz PCFDERVOOUTPOD-ZWKOTPCHSA-N 2 2 347.459 2.352 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000453267283 467473761 /nfs/dbraw/zinc/47/37/61/467473761.db2.gz PCFDERVOOUTPOD-ZWKOTPCHSA-N 2 2 347.459 2.352 20 5 EEBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588742 467587900 /nfs/dbraw/zinc/58/79/00/467587900.db2.gz VHNSYPPRKAZYJN-SYAUCNOPSA-N 2 2 333.436 2.347 20 5 EEBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588742 467587901 /nfs/dbraw/zinc/58/79/01/467587901.db2.gz VHNSYPPRKAZYJN-SYAUCNOPSA-N 2 2 333.436 2.347 20 5 EEBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449386967 467635018 /nfs/dbraw/zinc/63/50/18/467635018.db2.gz KEZNQKDLPYWSMX-DOTOQJQBSA-N 2 2 335.448 2.352 20 5 EEBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449386967 467635019 /nfs/dbraw/zinc/63/50/19/467635019.db2.gz KEZNQKDLPYWSMX-DOTOQJQBSA-N 2 2 335.448 2.352 20 5 EEBDLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601165395 468767477 /nfs/dbraw/zinc/76/74/77/468767477.db2.gz NTFCOSPSOZYRQK-ZFWWWQNUSA-N 2 2 342.399 2.442 20 5 EEBDLP CC(C)C[NH2+]C1(CO)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595511075 468883127 /nfs/dbraw/zinc/88/31/27/468883127.db2.gz HSQIFYQSZORJDX-UHFFFAOYSA-N 2 2 335.448 2.210 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593733368 469115134 /nfs/dbraw/zinc/11/51/34/469115134.db2.gz MAHXAYQZCPKJLO-JSGCOSHPSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593733368 469115141 /nfs/dbraw/zinc/11/51/41/469115141.db2.gz MAHXAYQZCPKJLO-JSGCOSHPSA-N 2 2 334.420 2.291 20 5 EEBDLP COc1ccc(OCC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000573574032 469164339 /nfs/dbraw/zinc/16/43/39/469164339.db2.gz INNPFCLHAMHYNB-CYBMUJFWSA-N 2 2 346.387 2.205 20 5 EEBDLP COc1ccc(OCC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000573574032 469164346 /nfs/dbraw/zinc/16/43/46/469164346.db2.gz INNPFCLHAMHYNB-CYBMUJFWSA-N 2 2 346.387 2.205 20 5 EEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589198030 469211744 /nfs/dbraw/zinc/21/17/44/469211744.db2.gz UEZJWFDMTKDQQD-UHFFFAOYSA-N 2 2 332.360 2.085 20 5 EEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589198030 469211751 /nfs/dbraw/zinc/21/17/51/469211751.db2.gz UEZJWFDMTKDQQD-UHFFFAOYSA-N 2 2 332.360 2.085 20 5 EEBDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000609386047 469924730 /nfs/dbraw/zinc/92/47/30/469924730.db2.gz JUJCWYBKLHJZIN-CQSZACIVSA-N 2 2 334.420 2.386 20 5 EEBDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000609386047 469924739 /nfs/dbraw/zinc/92/47/39/469924739.db2.gz JUJCWYBKLHJZIN-CQSZACIVSA-N 2 2 334.420 2.386 20 5 EEBDLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCOCC1 ZINC000153122325 534079642 /nfs/dbraw/zinc/07/96/42/534079642.db2.gz HAABYWOAYFOIMH-YJBOKZPZSA-N 2 2 347.459 2.474 20 5 EEBDLP CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000733166158 577206168 /nfs/dbraw/zinc/20/61/68/577206168.db2.gz GAFVVZHFRDEPJD-AWEZNQCLSA-N 2 2 345.403 2.097 20 5 EEBDLP Cc1cnc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000266179585 248151961 /nfs/dbraw/zinc/15/19/61/248151961.db2.gz BSFPQVNVDNRCGL-UHFFFAOYSA-N 2 2 333.436 2.269 20 5 EEBDLP Cc1c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000364547611 165180888 /nfs/dbraw/zinc/18/08/88/165180888.db2.gz RTLLHYXKCAQMDG-KRWDZBQOSA-N 2 2 332.448 2.115 20 5 EEBDLP Cc1c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000364547611 165180891 /nfs/dbraw/zinc/18/08/91/165180891.db2.gz RTLLHYXKCAQMDG-KRWDZBQOSA-N 2 2 332.448 2.115 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422640507 314298510 /nfs/dbraw/zinc/29/85/10/314298510.db2.gz VQYWARDCKPRTEA-XBFCOCLRSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422640507 314298513 /nfs/dbraw/zinc/29/85/13/314298513.db2.gz VQYWARDCKPRTEA-XBFCOCLRSA-N 2 2 334.420 2.147 20 5 EEBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)nc1 ZINC000180344328 464291249 /nfs/dbraw/zinc/29/12/49/464291249.db2.gz IAPQARBFBSIJOB-ZDUSSCGKSA-N 2 2 338.371 2.324 20 5 EEBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)nc1 ZINC000180344328 464291254 /nfs/dbraw/zinc/29/12/54/464291254.db2.gz IAPQARBFBSIJOB-ZDUSSCGKSA-N 2 2 338.371 2.324 20 5 EEBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000358144916 466493287 /nfs/dbraw/zinc/49/32/87/466493287.db2.gz VCRWNEBCECUXNT-KRWDZBQOSA-N 2 2 331.372 2.011 20 5 EEBDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000358144916 466493296 /nfs/dbraw/zinc/49/32/96/466493296.db2.gz VCRWNEBCECUXNT-KRWDZBQOSA-N 2 2 331.372 2.011 20 5 EEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423224042 466699681 /nfs/dbraw/zinc/69/96/81/466699681.db2.gz BJWNOPAFRBRQJR-AWEZNQCLSA-N 2 2 341.415 2.443 20 5 EEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430542443 467436281 /nfs/dbraw/zinc/43/62/81/467436281.db2.gz KFTVFIDRTLDVBZ-CQSZACIVSA-N 2 2 333.392 2.450 20 5 EEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430542443 467436283 /nfs/dbraw/zinc/43/62/83/467436283.db2.gz KFTVFIDRTLDVBZ-CQSZACIVSA-N 2 2 333.392 2.450 20 5 EEBDLP CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448566605 467593699 /nfs/dbraw/zinc/59/36/99/467593699.db2.gz SIGCTACEQZOAIS-UHFFFAOYSA-N 2 2 345.403 2.242 20 5 EEBDLP CC[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000592488723 468710032 /nfs/dbraw/zinc/71/00/32/468710032.db2.gz MMBWGFKQVOGBCS-FZMZJTMJSA-N 2 2 331.376 2.204 20 5 EEBDLP CC[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1[NH3+] ZINC000592488723 468710034 /nfs/dbraw/zinc/71/00/34/468710034.db2.gz MMBWGFKQVOGBCS-FZMZJTMJSA-N 2 2 331.376 2.204 20 5 EEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595102741 468759214 /nfs/dbraw/zinc/75/92/14/468759214.db2.gz LNYXJLKEYHSHMY-WMLDXEAASA-N 2 2 331.416 2.425 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000593730859 469113611 /nfs/dbraw/zinc/11/36/11/469113611.db2.gz JFANTWQTAGHBDA-DEYYWGMASA-N 2 2 346.431 2.291 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000593730859 469113616 /nfs/dbraw/zinc/11/36/16/469113616.db2.gz JFANTWQTAGHBDA-DEYYWGMASA-N 2 2 346.431 2.291 20 5 EEBDLP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000603433997 469395280 /nfs/dbraw/zinc/39/52/80/469395280.db2.gz OGQKPFLULYEQPU-STQMWFEESA-N 2 2 345.346 2.420 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1F ZINC001246119965 1310241002 /nfs/dbraw/zinc/24/10/02/1310241002.db2.gz YGBSJBIAOXAUGK-NTZNESFSSA-N 2 2 325.384 2.261 20 5 EEBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001168967905 803553422 /nfs/dbraw/zinc/55/34/22/803553422.db2.gz UMKJLCWSPGIYRB-ROUUACIJSA-N 2 2 333.432 2.054 20 5 EEBDLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129567605 529899063 /nfs/dbraw/zinc/89/90/63/529899063.db2.gz FVYBKXRZWMNTRE-UHFFFAOYSA-N 2 2 349.366 2.281 20 5 EEBDLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129567605 529899064 /nfs/dbraw/zinc/89/90/64/529899064.db2.gz FVYBKXRZWMNTRE-UHFFFAOYSA-N 2 2 349.366 2.281 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422632204 240165825 /nfs/dbraw/zinc/16/58/25/240165825.db2.gz GJVKGSANNNUHQF-MJBXVCDLSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422632204 240165830 /nfs/dbraw/zinc/16/58/30/240165830.db2.gz GJVKGSANNNUHQF-MJBXVCDLSA-N 2 2 334.420 2.147 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427137094 241382573 /nfs/dbraw/zinc/38/25/73/241382573.db2.gz QXVQLFNXPQNTRN-MFKMUULPSA-N 2 2 327.331 2.380 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427137094 241382577 /nfs/dbraw/zinc/38/25/77/241382577.db2.gz QXVQLFNXPQNTRN-MFKMUULPSA-N 2 2 327.331 2.380 20 5 EEBDLP C[NH+](C)C(C)(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447812141 242319789 /nfs/dbraw/zinc/31/97/89/242319789.db2.gz JYRQFYFALBYHDL-UHFFFAOYSA-N 2 2 336.436 2.179 20 5 EEBDLP C[C@@H](CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000272554457 274175271 /nfs/dbraw/zinc/17/52/71/274175271.db2.gz RYANZAOGAUAXQF-SUMWQHHRSA-N 2 2 343.431 2.490 20 5 EEBDLP C[C@@H](CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000272554457 274175273 /nfs/dbraw/zinc/17/52/73/274175273.db2.gz RYANZAOGAUAXQF-SUMWQHHRSA-N 2 2 343.431 2.490 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423358951 303004777 /nfs/dbraw/zinc/00/47/77/303004777.db2.gz CMWWYUKRLQPDBV-IIAWOOMASA-N 2 2 329.404 2.277 20 5 EEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000076897607 462919625 /nfs/dbraw/zinc/91/96/25/462919625.db2.gz RNGNEKOUGQOLBC-AWEZNQCLSA-N 2 2 337.420 2.194 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139876984 463334133 /nfs/dbraw/zinc/33/41/33/463334133.db2.gz WSHKYJMGWAPUTH-IIAWOOMASA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139876984 463334136 /nfs/dbraw/zinc/33/41/36/463334136.db2.gz WSHKYJMGWAPUTH-IIAWOOMASA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139876984 463334137 /nfs/dbraw/zinc/33/41/37/463334137.db2.gz WSHKYJMGWAPUTH-IIAWOOMASA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139876984 463334139 /nfs/dbraw/zinc/33/41/39/463334139.db2.gz WSHKYJMGWAPUTH-IIAWOOMASA-N 2 2 346.431 2.338 20 5 EEBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]12 ZINC000346830811 466183000 /nfs/dbraw/zinc/18/30/00/466183000.db2.gz PDPSBJNKFLYSQF-TVYUQYBPSA-N 2 2 327.331 2.365 20 5 EEBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]12 ZINC000346830811 466183006 /nfs/dbraw/zinc/18/30/06/466183006.db2.gz PDPSBJNKFLYSQF-TVYUQYBPSA-N 2 2 327.331 2.365 20 5 EEBDLP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370709880 466974975 /nfs/dbraw/zinc/97/49/75/466974975.db2.gz RVTGAQBOCIGCGN-WMZOPIPTSA-N 2 2 346.475 2.361 20 5 EEBDLP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370709880 466974982 /nfs/dbraw/zinc/97/49/82/466974982.db2.gz RVTGAQBOCIGCGN-WMZOPIPTSA-N 2 2 346.475 2.361 20 5 EEBDLP C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000420415741 467401044 /nfs/dbraw/zinc/40/10/44/467401044.db2.gz VDXJGUJPNRZMJR-WCQYABFASA-N 2 2 331.376 2.062 20 5 EEBDLP C[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000420415741 467401049 /nfs/dbraw/zinc/40/10/49/467401049.db2.gz VDXJGUJPNRZMJR-WCQYABFASA-N 2 2 331.376 2.062 20 5 EEBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000602804771 469087391 /nfs/dbraw/zinc/08/73/91/469087391.db2.gz KGRVLSQWXSIFPJ-UHFFFAOYSA-N 2 2 346.435 2.489 20 5 EEBDLP Cc1nn(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501836 577557157 /nfs/dbraw/zinc/55/71/57/577557157.db2.gz XCVAQDISXBFMIP-XJKSGUPXSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501836 577557158 /nfs/dbraw/zinc/55/71/58/577557158.db2.gz XCVAQDISXBFMIP-XJKSGUPXSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501836 577557159 /nfs/dbraw/zinc/55/71/59/577557159.db2.gz XCVAQDISXBFMIP-XJKSGUPXSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501836 577557160 /nfs/dbraw/zinc/55/71/60/577557160.db2.gz XCVAQDISXBFMIP-XJKSGUPXSA-N 2 2 344.419 2.022 20 5 EEBDLP O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000152092588 794541798 /nfs/dbraw/zinc/54/17/98/794541798.db2.gz VYBJAOJHXGFADY-UHFFFAOYSA-N 2 2 326.360 2.436 20 5 EEBDLP Cc1nc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cc[nH+]1 ZINC000183772787 235222034 /nfs/dbraw/zinc/22/20/34/235222034.db2.gz MGVVUFHELBAUTL-UHFFFAOYSA-N 2 2 327.388 2.324 20 5 EEBDLP C[C@H](CC[NH+](C)C)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801958 242317778 /nfs/dbraw/zinc/31/77/78/242317778.db2.gz GCZCRSRTABXADZ-CQSZACIVSA-N 2 2 336.436 2.179 20 5 EEBDLP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414802287 313093335 /nfs/dbraw/zinc/09/33/35/313093335.db2.gz VLDOSGKXODVBGU-NSHDSACASA-N 2 2 347.362 2.320 20 5 EEBDLP C[NH2+]CC[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000414822387 313097137 /nfs/dbraw/zinc/09/71/37/313097137.db2.gz GKOISBPULPWTOO-UHFFFAOYSA-N 2 2 345.399 2.491 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124316422 463408658 /nfs/dbraw/zinc/40/86/58/463408658.db2.gz HXJJKEOGEQEJKJ-ZDUSSCGKSA-N 2 2 331.376 2.140 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCn1cc[nH+]c1 ZINC000124384481 463416525 /nfs/dbraw/zinc/41/65/25/463416525.db2.gz DDTHJFXRBYSLGL-ZDUSSCGKSA-N 2 2 331.376 2.140 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124384481 463416529 /nfs/dbraw/zinc/41/65/29/463416529.db2.gz DDTHJFXRBYSLGL-ZDUSSCGKSA-N 2 2 331.376 2.140 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000351864208 465404839 /nfs/dbraw/zinc/40/48/39/465404839.db2.gz WSIVUOJXFPBPSK-NXEZZACHSA-N 2 2 345.346 2.374 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000351864208 465404843 /nfs/dbraw/zinc/40/48/43/465404843.db2.gz WSIVUOJXFPBPSK-NXEZZACHSA-N 2 2 345.346 2.374 20 5 EEBDLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000591282852 468438245 /nfs/dbraw/zinc/43/82/45/468438245.db2.gz UXWQPRUDEMJLIT-CYBMUJFWSA-N 2 2 335.404 2.376 20 5 EEBDLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430579724 467445639 /nfs/dbraw/zinc/44/56/39/467445639.db2.gz CSQWLVXYSFRZRV-HNNXBMFYSA-N 2 2 330.388 2.476 20 5 EEBDLP C[NH2+]C[C@@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430579724 467445642 /nfs/dbraw/zinc/44/56/42/467445642.db2.gz CSQWLVXYSFRZRV-HNNXBMFYSA-N 2 2 330.388 2.476 20 5 EEBDLP CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435624342 467482365 /nfs/dbraw/zinc/48/23/65/467482365.db2.gz JDRSXBQYSNEDTP-OAHLLOKOSA-N 2 2 334.420 2.022 20 5 EEBDLP CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435624342 467482369 /nfs/dbraw/zinc/48/23/69/467482369.db2.gz JDRSXBQYSNEDTP-OAHLLOKOSA-N 2 2 334.420 2.022 20 5 EEBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595094091 468756779 /nfs/dbraw/zinc/75/67/79/468756779.db2.gz CHYSKKVVHKJWEC-HIFRSBDPSA-N 2 2 334.420 2.386 20 5 EEBDLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595094091 468756786 /nfs/dbraw/zinc/75/67/86/468756786.db2.gz CHYSKKVVHKJWEC-HIFRSBDPSA-N 2 2 334.420 2.386 20 5 EEBDLP COc1cc(N2CCC([NH2+]CC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001256081663 1318641399 /nfs/dbraw/zinc/64/13/99/1318641399.db2.gz CCCQRMSSPYSUTE-UHFFFAOYSA-N 2 2 348.447 2.258 20 5 EEBDLP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001357128132 1373209982 /nfs/dbraw/zinc/20/99/82/1373209982.db2.gz YLVFMWRFPKGEGZ-CQSZACIVSA-N 2 2 334.420 2.386 20 5 EEBDLP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001357128132 1373209989 /nfs/dbraw/zinc/20/99/89/1373209989.db2.gz YLVFMWRFPKGEGZ-CQSZACIVSA-N 2 2 334.420 2.386 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442778102 242110929 /nfs/dbraw/zinc/11/09/29/242110929.db2.gz JYCFZVOWKJALIB-NNQSOWQGSA-N 2 2 332.404 2.057 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442778102 242110932 /nfs/dbraw/zinc/11/09/32/242110932.db2.gz JYCFZVOWKJALIB-NNQSOWQGSA-N 2 2 332.404 2.057 20 5 EEBDLP CC[NH+]1CCC(Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447801309 242317315 /nfs/dbraw/zinc/31/73/15/242317315.db2.gz BQDMCMPDCARIPA-UHFFFAOYSA-N 2 2 348.447 2.323 20 5 EEBDLP C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000271216618 256221037 /nfs/dbraw/zinc/22/10/37/256221037.db2.gz IZSJPDVFOPQCQD-XYPHTWIQSA-N 2 2 330.388 2.408 20 5 EEBDLP C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000271216618 256221038 /nfs/dbraw/zinc/22/10/38/256221038.db2.gz IZSJPDVFOPQCQD-XYPHTWIQSA-N 2 2 330.388 2.408 20 5 EEBDLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361346049 153518821 /nfs/dbraw/zinc/51/88/21/153518821.db2.gz LZYHOXCEJJZHKO-AWEZNQCLSA-N 2 2 348.447 2.188 20 5 EEBDLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000352503679 162161195 /nfs/dbraw/zinc/16/11/95/162161195.db2.gz IVVJZGQDUUUQNS-ZDUSSCGKSA-N 2 2 331.376 2.348 20 5 EEBDLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000352503679 162161196 /nfs/dbraw/zinc/16/11/96/162161196.db2.gz IVVJZGQDUUUQNS-ZDUSSCGKSA-N 2 2 331.376 2.348 20 5 EEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000269625729 464038284 /nfs/dbraw/zinc/03/82/84/464038284.db2.gz COHYHHUINYIHIR-MAUKXSAKSA-N 2 2 333.432 2.436 20 5 EEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000269625729 464038290 /nfs/dbraw/zinc/03/82/90/464038290.db2.gz COHYHHUINYIHIR-MAUKXSAKSA-N 2 2 333.432 2.436 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577833 468486064 /nfs/dbraw/zinc/48/60/64/468486064.db2.gz IPCJMPINUKIFPC-GOEBONIOSA-N 2 2 329.404 2.149 20 5 EEBDLP Cc1cc(NC[C@@H](C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488989919 468115521 /nfs/dbraw/zinc/11/55/21/468115521.db2.gz FQFFBQWHLPAZIG-GFCCVEGCSA-N 2 2 329.404 2.392 20 5 EEBDLP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846721 469114689 /nfs/dbraw/zinc/11/46/89/469114689.db2.gz GBBZKHXMMYMLIG-UHFFFAOYSA-N 2 2 328.372 2.408 20 5 EEBDLP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846721 469114694 /nfs/dbraw/zinc/11/46/94/469114694.db2.gz GBBZKHXMMYMLIG-UHFFFAOYSA-N 2 2 328.372 2.408 20 5 EEBDLP Cc1nn(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749957625 577984771 /nfs/dbraw/zinc/98/47/71/577984771.db2.gz ZFVLUDPQGXRQAF-ZDUSSCGKSA-N 2 2 341.375 2.139 20 5 EEBDLP Cc1nn(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749957625 577984772 /nfs/dbraw/zinc/98/47/72/577984772.db2.gz ZFVLUDPQGXRQAF-ZDUSSCGKSA-N 2 2 341.375 2.139 20 5 EEBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000872062216 1198038123 /nfs/dbraw/zinc/03/81/23/1198038123.db2.gz LCLUSRSLIJJIFY-NHYWBVRUSA-N 2 2 325.434 2.034 20 5 EEBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000872062216 1198038124 /nfs/dbraw/zinc/03/81/24/1198038124.db2.gz LCLUSRSLIJJIFY-NHYWBVRUSA-N 2 2 325.434 2.034 20 5 EEBDLP C[N@H+](CCCn1cc[nH+]c1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853502554 1292404205 /nfs/dbraw/zinc/40/42/05/1292404205.db2.gz CVJXZSOJOJVARE-UHFFFAOYSA-N 2 2 341.375 2.029 20 5 EEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853502554 1292404213 /nfs/dbraw/zinc/40/42/13/1292404213.db2.gz CVJXZSOJOJVARE-UHFFFAOYSA-N 2 2 341.375 2.029 20 5 EEBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001168996052 803562610 /nfs/dbraw/zinc/56/26/10/803562610.db2.gz UNWOHRDCESHZHR-RDJZCZTQSA-N 2 2 333.432 2.392 20 5 EEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018708 803587235 /nfs/dbraw/zinc/58/72/35/803587235.db2.gz CDFKFSYNUWBQFN-AKHDSKFASA-N 2 2 344.459 2.281 20 5 EEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018708 803587240 /nfs/dbraw/zinc/58/72/40/803587240.db2.gz CDFKFSYNUWBQFN-AKHDSKFASA-N 2 2 344.459 2.281 20 5 EEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018708 803587243 /nfs/dbraw/zinc/58/72/43/803587243.db2.gz CDFKFSYNUWBQFN-AKHDSKFASA-N 2 2 344.459 2.281 20 5 EEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018708 803587248 /nfs/dbraw/zinc/58/72/48/803587248.db2.gz CDFKFSYNUWBQFN-AKHDSKFASA-N 2 2 344.459 2.281 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000346326225 161363343 /nfs/dbraw/zinc/36/33/43/161363343.db2.gz KDEVABHUHBRQRJ-WWGRRREGSA-N 2 2 334.420 2.384 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000346326225 161363344 /nfs/dbraw/zinc/36/33/44/161363344.db2.gz KDEVABHUHBRQRJ-WWGRRREGSA-N 2 2 334.420 2.384 20 5 EEBDLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000352504856 162163327 /nfs/dbraw/zinc/16/33/27/162163327.db2.gz VMNIYIDMIBTJIQ-ZDUSSCGKSA-N 2 2 331.376 2.348 20 5 EEBDLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000352504856 162163329 /nfs/dbraw/zinc/16/33/29/162163329.db2.gz VMNIYIDMIBTJIQ-ZDUSSCGKSA-N 2 2 331.376 2.348 20 5 EEBDLP Cc1cc(N(C)CC[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272805847 269021953 /nfs/dbraw/zinc/02/19/53/269021953.db2.gz FSMXRZXLUDFQMT-UHFFFAOYSA-N 2 2 330.388 2.220 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000297383388 294228957 /nfs/dbraw/zinc/22/89/57/294228957.db2.gz RGIPKZFJVAOOJU-QZTJIDSGSA-N 2 2 347.459 2.352 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000297383388 294228960 /nfs/dbraw/zinc/22/89/60/294228960.db2.gz RGIPKZFJVAOOJU-QZTJIDSGSA-N 2 2 347.459 2.352 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422640505 314298147 /nfs/dbraw/zinc/29/81/47/314298147.db2.gz VQYWARDCKPRTEA-BNOWGMLFSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422640505 314298153 /nfs/dbraw/zinc/29/81/53/314298153.db2.gz VQYWARDCKPRTEA-BNOWGMLFSA-N 2 2 334.420 2.147 20 5 EEBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430551956 314543738 /nfs/dbraw/zinc/54/37/38/314543738.db2.gz ACDFJASBOWUIMR-CQSZACIVSA-N 2 2 328.800 2.150 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000441255354 315177070 /nfs/dbraw/zinc/17/70/70/315177070.db2.gz KQRJWERUICDCIM-CSMYWGQOSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000441255354 315177074 /nfs/dbraw/zinc/17/70/74/315177074.db2.gz KQRJWERUICDCIM-CSMYWGQOSA-N 2 2 337.395 2.417 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000124404168 463418592 /nfs/dbraw/zinc/41/85/92/463418592.db2.gz KOXLYHJMKXQXEX-UHFFFAOYSA-N 2 2 345.403 2.450 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124404168 463418597 /nfs/dbraw/zinc/41/85/97/463418597.db2.gz KOXLYHJMKXQXEX-UHFFFAOYSA-N 2 2 345.403 2.450 20 5 EEBDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900510 464863861 /nfs/dbraw/zinc/86/38/61/464863861.db2.gz UBFNXMLQVGSEHZ-RHSMWYFYSA-N 2 2 348.447 2.188 20 5 EEBDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900510 464863867 /nfs/dbraw/zinc/86/38/67/464863867.db2.gz UBFNXMLQVGSEHZ-RHSMWYFYSA-N 2 2 348.447 2.188 20 5 EEBDLP O=[N+]([O-])c1ccn(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000361076355 465749562 /nfs/dbraw/zinc/74/95/62/465749562.db2.gz XWFGBIZSTICLRR-UHFFFAOYSA-N 2 2 332.408 2.180 20 5 EEBDLP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420245304 467329308 /nfs/dbraw/zinc/32/93/08/467329308.db2.gz ZSAFCUMZFCDFLG-UONOGXRCSA-N 2 2 327.388 2.464 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420325888 467357227 /nfs/dbraw/zinc/35/72/27/467357227.db2.gz BZWGGTDHPJEKDO-SWLSCSKDSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420325888 467357230 /nfs/dbraw/zinc/35/72/30/467357230.db2.gz BZWGGTDHPJEKDO-SWLSCSKDSA-N 2 2 334.420 2.291 20 5 EEBDLP CC[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1[NH3+] ZINC000592488754 468709898 /nfs/dbraw/zinc/70/98/98/468709898.db2.gz NFHPAGTVOSLCFD-FZMZJTMJSA-N 2 2 331.376 2.204 20 5 EEBDLP CC[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1[NH3+] ZINC000592488754 468709904 /nfs/dbraw/zinc/70/99/04/468709904.db2.gz NFHPAGTVOSLCFD-FZMZJTMJSA-N 2 2 331.376 2.204 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388290 468835614 /nfs/dbraw/zinc/83/56/14/468835614.db2.gz FSWWVAFQCGNIPM-VYDXJSESSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388290 468835618 /nfs/dbraw/zinc/83/56/18/468835618.db2.gz FSWWVAFQCGNIPM-VYDXJSESSA-N 2 2 337.395 2.417 20 5 EEBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000602635446 468979472 /nfs/dbraw/zinc/97/94/72/468979472.db2.gz YVPCPWLDIPVGJN-CYBMUJFWSA-N 2 2 348.403 2.327 20 5 EEBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000602635446 468979476 /nfs/dbraw/zinc/97/94/76/468979476.db2.gz YVPCPWLDIPVGJN-CYBMUJFWSA-N 2 2 348.403 2.327 20 5 EEBDLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602508480 469343418 /nfs/dbraw/zinc/34/34/18/469343418.db2.gz NAMCZOCLVUVYBJ-HNNXBMFYSA-N 2 2 347.463 2.423 20 5 EEBDLP Cc1nn(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105879 577495059 /nfs/dbraw/zinc/49/50/59/577495059.db2.gz LSHRQSFKHGXEPI-BBRMVZONSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105879 577495060 /nfs/dbraw/zinc/49/50/60/577495060.db2.gz LSHRQSFKHGXEPI-BBRMVZONSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105879 577495061 /nfs/dbraw/zinc/49/50/61/577495061.db2.gz LSHRQSFKHGXEPI-BBRMVZONSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105879 577495062 /nfs/dbraw/zinc/49/50/62/577495062.db2.gz LSHRQSFKHGXEPI-BBRMVZONSA-N 2 2 344.419 2.022 20 5 EEBDLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877153359 1199871218 /nfs/dbraw/zinc/87/12/18/1199871218.db2.gz HJKNJXDKPOBEEP-CQSZACIVSA-N 2 2 333.436 2.033 20 5 EEBDLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877153359 1199871219 /nfs/dbraw/zinc/87/12/19/1199871219.db2.gz HJKNJXDKPOBEEP-CQSZACIVSA-N 2 2 333.436 2.033 20 5 EEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000866364144 1201500788 /nfs/dbraw/zinc/50/07/88/1201500788.db2.gz AWXFBVRNXBISKM-CZUORRHYSA-N 2 2 339.411 2.101 20 5 EEBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000866364144 1201500790 /nfs/dbraw/zinc/50/07/90/1201500790.db2.gz AWXFBVRNXBISKM-CZUORRHYSA-N 2 2 339.411 2.101 20 5 EEBDLP C[N@H+](CCCn1cc[nH+]c1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130576865 1201984280 /nfs/dbraw/zinc/98/42/80/1201984280.db2.gz SVDKITINYWCLHO-UHFFFAOYSA-N 2 2 341.375 2.029 20 5 EEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130576865 1201984282 /nfs/dbraw/zinc/98/42/82/1201984282.db2.gz SVDKITINYWCLHO-UHFFFAOYSA-N 2 2 341.375 2.029 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001254583991 1318132325 /nfs/dbraw/zinc/13/23/25/1318132325.db2.gz FROYETZRKMIDSL-MSOLQXFVSA-N 2 2 345.443 2.153 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001254583991 1318132340 /nfs/dbraw/zinc/13/23/40/1318132340.db2.gz FROYETZRKMIDSL-MSOLQXFVSA-N 2 2 345.443 2.153 20 5 EEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000369265380 166224328 /nfs/dbraw/zinc/22/43/28/166224328.db2.gz GGMZPDRSCXDCNW-LBPRGKRZSA-N 2 2 349.391 2.083 20 5 EEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000369265380 166224329 /nfs/dbraw/zinc/22/43/29/166224329.db2.gz GGMZPDRSCXDCNW-LBPRGKRZSA-N 2 2 349.391 2.083 20 5 EEBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000275680678 269135255 /nfs/dbraw/zinc/13/52/55/269135255.db2.gz HYQVKIACAXJKLZ-ZDUSSCGKSA-N 2 2 334.420 2.386 20 5 EEBDLP C[NH2+]CC[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000414819626 313097065 /nfs/dbraw/zinc/09/70/65/313097065.db2.gz AOSPGTUPDUMIMT-UHFFFAOYSA-N 2 2 345.399 2.491 20 5 EEBDLP COc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414895827 313109334 /nfs/dbraw/zinc/10/93/34/313109334.db2.gz ZXJAPHPGXQOLJE-LLVKDONJSA-N 2 2 345.346 2.074 20 5 EEBDLP Cc1cccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000112921551 462554913 /nfs/dbraw/zinc/55/49/13/462554913.db2.gz OKHYXQGVDIBTBM-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP Cc1cccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000112921551 462554917 /nfs/dbraw/zinc/55/49/17/462554917.db2.gz OKHYXQGVDIBTBM-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP CC1(C)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000090191999 462786002 /nfs/dbraw/zinc/78/60/02/462786002.db2.gz BHFNJWQYIHMITI-MRXNPFEDSA-N 2 2 343.431 2.434 20 5 EEBDLP CC1(C)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000090191999 462786009 /nfs/dbraw/zinc/78/60/09/462786009.db2.gz BHFNJWQYIHMITI-MRXNPFEDSA-N 2 2 343.431 2.434 20 5 EEBDLP Cn1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591275572 468435335 /nfs/dbraw/zinc/43/53/35/468435335.db2.gz FBUCXJMQEYGCDY-OAHLLOKOSA-N 2 2 329.404 2.227 20 5 EEBDLP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357059495 465733604 /nfs/dbraw/zinc/73/36/04/465733604.db2.gz XFHQNJPUJZFRAJ-GJZGRUSLSA-N 2 2 341.415 2.037 20 5 EEBDLP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357059495 465733607 /nfs/dbraw/zinc/73/36/07/465733607.db2.gz XFHQNJPUJZFRAJ-GJZGRUSLSA-N 2 2 341.415 2.037 20 5 EEBDLP [NH3+]CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000420306901 467347879 /nfs/dbraw/zinc/34/78/79/467347879.db2.gz LHNUMBIWPWFGQN-UHFFFAOYSA-N 2 2 342.399 2.384 20 5 EEBDLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000420306901 467347880 /nfs/dbraw/zinc/34/78/80/467347880.db2.gz LHNUMBIWPWFGQN-UHFFFAOYSA-N 2 2 342.399 2.384 20 5 EEBDLP C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000430582785 467445193 /nfs/dbraw/zinc/44/51/93/467445193.db2.gz LPZBAPUGEBTZIU-UHFFFAOYSA-N 2 2 328.800 2.103 20 5 EEBDLP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000430582785 467445196 /nfs/dbraw/zinc/44/51/96/467445196.db2.gz LPZBAPUGEBTZIU-UHFFFAOYSA-N 2 2 328.800 2.103 20 5 EEBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)o1 ZINC000415031769 467470868 /nfs/dbraw/zinc/47/08/68/467470868.db2.gz FIRJVLCWKGMEQM-CQSZACIVSA-N 2 2 331.372 2.323 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000453267281 467474054 /nfs/dbraw/zinc/47/40/54/467474054.db2.gz PCFDERVOOUTPOD-ROUUACIJSA-N 2 2 347.459 2.352 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000453267281 467474056 /nfs/dbraw/zinc/47/40/56/467474056.db2.gz PCFDERVOOUTPOD-ROUUACIJSA-N 2 2 347.459 2.352 20 5 EEBDLP CCOc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000486974748 468016257 /nfs/dbraw/zinc/01/62/57/468016257.db2.gz TUQNFRVKGULOQF-UHFFFAOYSA-N 2 2 336.436 2.431 20 5 EEBDLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598718037 468972138 /nfs/dbraw/zinc/97/21/38/468972138.db2.gz IXDMODXSKCVYHV-YJBOKZPZSA-N 2 2 341.415 2.309 20 5 EEBDLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598718037 468972142 /nfs/dbraw/zinc/97/21/42/468972142.db2.gz IXDMODXSKCVYHV-YJBOKZPZSA-N 2 2 341.415 2.309 20 5 EEBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000602635449 468979122 /nfs/dbraw/zinc/97/91/22/468979122.db2.gz YVPCPWLDIPVGJN-ZDUSSCGKSA-N 2 2 348.403 2.327 20 5 EEBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCO1 ZINC000602635449 468979125 /nfs/dbraw/zinc/97/91/25/468979125.db2.gz YVPCPWLDIPVGJN-ZDUSSCGKSA-N 2 2 348.403 2.327 20 5 EEBDLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602712727 469027756 /nfs/dbraw/zinc/02/77/56/469027756.db2.gz FHODECQXHCXSSU-OAHLLOKOSA-N 2 2 333.436 2.033 20 5 EEBDLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602712727 469027762 /nfs/dbraw/zinc/02/77/62/469027762.db2.gz FHODECQXHCXSSU-OAHLLOKOSA-N 2 2 333.436 2.033 20 5 EEBDLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602514325 469345878 /nfs/dbraw/zinc/34/58/78/469345878.db2.gz JICFFOQFWWONFC-OAHLLOKOSA-N 2 2 347.463 2.280 20 5 EEBDLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602514325 469345882 /nfs/dbraw/zinc/34/58/82/469345882.db2.gz JICFFOQFWWONFC-OAHLLOKOSA-N 2 2 347.463 2.280 20 5 EEBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](CC4CC4)C3)CC2)cn1 ZINC000602567095 469364385 /nfs/dbraw/zinc/36/43/85/469364385.db2.gz UQVGGDYNWJJMIB-MRXNPFEDSA-N 2 2 345.447 2.033 20 5 EEBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)CC2)cn1 ZINC000602567095 469364389 /nfs/dbraw/zinc/36/43/89/469364389.db2.gz UQVGGDYNWJJMIB-MRXNPFEDSA-N 2 2 345.447 2.033 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258438 469907095 /nfs/dbraw/zinc/90/70/95/469907095.db2.gz VUCZFEGAKSWCMW-OAHLLOKOSA-N 2 2 343.387 2.375 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258438 469907097 /nfs/dbraw/zinc/90/70/97/469907097.db2.gz VUCZFEGAKSWCMW-OAHLLOKOSA-N 2 2 343.387 2.375 20 5 EEBDLP Cc1nn(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749953291 577984502 /nfs/dbraw/zinc/98/45/02/577984502.db2.gz CSHYALAKYSFWDZ-UHFFFAOYSA-N 2 2 341.375 2.139 20 5 EEBDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001336000394 1336463638 /nfs/dbraw/zinc/46/36/38/1336463638.db2.gz CHKLMKOARPOVIX-CYBMUJFWSA-N 2 2 334.420 2.386 20 5 EEBDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001336000394 1336463640 /nfs/dbraw/zinc/46/36/40/1336463640.db2.gz CHKLMKOARPOVIX-CYBMUJFWSA-N 2 2 334.420 2.386 20 5 EEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001337291680 1336677660 /nfs/dbraw/zinc/67/76/60/1336677660.db2.gz YPERXFIHRQWULP-YOEHRIQHSA-N 2 2 344.415 2.316 20 5 EEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001337291680 1336677707 /nfs/dbraw/zinc/67/77/07/1336677707.db2.gz YPERXFIHRQWULP-YOEHRIQHSA-N 2 2 344.415 2.316 20 5 EEBDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131484278 223238395 /nfs/dbraw/zinc/23/83/95/223238395.db2.gz ZNIZWYHEQOYNON-QGZVFWFLSA-N 2 2 333.388 2.257 20 5 EEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000271612466 274145701 /nfs/dbraw/zinc/14/57/01/274145701.db2.gz COCFEDNTOACLMU-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000271612466 274145702 /nfs/dbraw/zinc/14/57/02/274145702.db2.gz COCFEDNTOACLMU-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP Cn1ccnc1[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272557566 274175524 /nfs/dbraw/zinc/17/55/24/274175524.db2.gz SNGNJTQQYDCDIN-KRWDZBQOSA-N 2 2 341.415 2.269 20 5 EEBDLP Cn1ccnc1[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272557566 274175526 /nfs/dbraw/zinc/17/55/26/274175526.db2.gz SNGNJTQQYDCDIN-KRWDZBQOSA-N 2 2 341.415 2.269 20 5 EEBDLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000291906877 275352024 /nfs/dbraw/zinc/35/20/24/275352024.db2.gz NIWKDZKXPXZMDW-CYBMUJFWSA-N 2 2 345.403 2.239 20 5 EEBDLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000291906877 275352025 /nfs/dbraw/zinc/35/20/25/275352025.db2.gz NIWKDZKXPXZMDW-CYBMUJFWSA-N 2 2 345.403 2.239 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292842181 464360913 /nfs/dbraw/zinc/36/09/13/464360913.db2.gz BGBXJPCYWWNNHX-RDTXWAMCSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292842181 464360920 /nfs/dbraw/zinc/36/09/20/464360920.db2.gz BGBXJPCYWWNNHX-RDTXWAMCSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292842181 464360924 /nfs/dbraw/zinc/36/09/24/464360924.db2.gz BGBXJPCYWWNNHX-RDTXWAMCSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292842181 464360932 /nfs/dbraw/zinc/36/09/32/464360932.db2.gz BGBXJPCYWWNNHX-RDTXWAMCSA-N 2 2 346.431 2.340 20 5 EEBDLP [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000591685116 468502469 /nfs/dbraw/zinc/50/24/69/468502469.db2.gz QZTHFODWZNRCMT-OCCSQVGLSA-N 2 2 343.387 2.028 20 5 EEBDLP C[C@@H]1C[C@H](N[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423391515 466736608 /nfs/dbraw/zinc/73/66/08/466736608.db2.gz WXLASEPIQAYCGG-XPKDYRNWSA-N 2 2 329.404 2.148 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420336364 467364833 /nfs/dbraw/zinc/36/48/33/467364833.db2.gz MDIGEKOMAMKTMW-IUODEOHRSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420336364 467364837 /nfs/dbraw/zinc/36/48/37/467364837.db2.gz MDIGEKOMAMKTMW-IUODEOHRSA-N 2 2 334.420 2.291 20 5 EEBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000589497069 468156741 /nfs/dbraw/zinc/15/67/41/468156741.db2.gz MNRHMXVYFDAYRP-HNNXBMFYSA-N 2 2 344.371 2.415 20 5 EEBDLP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000589497069 468156743 /nfs/dbraw/zinc/15/67/43/468156743.db2.gz MNRHMXVYFDAYRP-HNNXBMFYSA-N 2 2 344.371 2.415 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000595007747 468742427 /nfs/dbraw/zinc/74/24/27/468742427.db2.gz JNDOURIGYFLRCQ-ZIAGYGMSSA-N 2 2 337.420 2.222 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000601113503 468745476 /nfs/dbraw/zinc/74/54/76/468745476.db2.gz HKFXVKFAAOZCQQ-MSOLQXFVSA-N 2 2 342.399 2.178 20 5 EEBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589197910 469211918 /nfs/dbraw/zinc/21/19/18/469211918.db2.gz PVWOTICNOLWZKQ-UHFFFAOYSA-N 2 2 346.387 2.393 20 5 EEBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589197910 469211922 /nfs/dbraw/zinc/21/19/22/469211922.db2.gz PVWOTICNOLWZKQ-UHFFFAOYSA-N 2 2 346.387 2.393 20 5 EEBDLP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CC(C)(C)C[NH3+] ZINC000843354874 1315897947 /nfs/dbraw/zinc/89/79/47/1315897947.db2.gz ITOJQNIPAYNLEK-SNVBAGLBSA-N 2 2 342.827 2.492 20 5 EEBDLP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000843354874 1315897951 /nfs/dbraw/zinc/89/79/51/1315897951.db2.gz ITOJQNIPAYNLEK-SNVBAGLBSA-N 2 2 342.827 2.492 20 5 EEBDLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254557296 1318119789 /nfs/dbraw/zinc/11/97/89/1318119789.db2.gz PGSZQAZJABSYRC-QILLFSRXSA-N 2 2 333.432 2.178 20 5 EEBDLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254557296 1318119794 /nfs/dbraw/zinc/11/97/94/1318119794.db2.gz PGSZQAZJABSYRC-QILLFSRXSA-N 2 2 333.432 2.178 20 5 EEBDLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254557296 1318119805 /nfs/dbraw/zinc/11/98/05/1318119805.db2.gz PGSZQAZJABSYRC-QILLFSRXSA-N 2 2 333.432 2.178 20 5 EEBDLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254557296 1318119809 /nfs/dbraw/zinc/11/98/09/1318119809.db2.gz PGSZQAZJABSYRC-QILLFSRXSA-N 2 2 333.432 2.178 20 5 EEBDLP [NH3+]CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000846226055 790094217 /nfs/dbraw/zinc/09/42/17/790094217.db2.gz YNCFPIKGPAFWSX-UHFFFAOYSA-N 2 2 340.811 2.248 20 5 EEBDLP Cc1c(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000175088035 231382186 /nfs/dbraw/zinc/38/21/86/231382186.db2.gz GMUPHKIFQSMFPL-UHFFFAOYSA-N 2 2 349.435 2.051 20 5 EEBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093770303 218248939 /nfs/dbraw/zinc/24/89/39/218248939.db2.gz RMYQAZSWQSATBX-ZDUSSCGKSA-N 2 2 337.420 2.386 20 5 EEBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093770303 218248940 /nfs/dbraw/zinc/24/89/40/218248940.db2.gz RMYQAZSWQSATBX-ZDUSSCGKSA-N 2 2 337.420 2.386 20 5 EEBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093770303 218248942 /nfs/dbraw/zinc/24/89/42/218248942.db2.gz RMYQAZSWQSATBX-ZDUSSCGKSA-N 2 2 337.420 2.386 20 5 EEBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093770303 218248943 /nfs/dbraw/zinc/24/89/43/218248943.db2.gz RMYQAZSWQSATBX-ZDUSSCGKSA-N 2 2 337.420 2.386 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246915064 160300644 /nfs/dbraw/zinc/30/06/44/160300644.db2.gz MTFYVIBNGJBYCB-JKIFEVAISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246915064 160300645 /nfs/dbraw/zinc/30/06/45/160300645.db2.gz MTFYVIBNGJBYCB-JKIFEVAISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246915064 160300646 /nfs/dbraw/zinc/30/06/46/160300646.db2.gz MTFYVIBNGJBYCB-JKIFEVAISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246915064 160300648 /nfs/dbraw/zinc/30/06/48/160300648.db2.gz MTFYVIBNGJBYCB-JKIFEVAISA-N 2 2 346.431 2.338 20 5 EEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000364850307 165293895 /nfs/dbraw/zinc/29/38/95/165293895.db2.gz KVMUUJHALBXBDM-NSHDSACASA-N 2 2 340.374 2.453 20 5 EEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000364850307 165293899 /nfs/dbraw/zinc/29/38/99/165293899.db2.gz KVMUUJHALBXBDM-NSHDSACASA-N 2 2 340.374 2.453 20 5 EEBDLP CC1(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279052270 269258774 /nfs/dbraw/zinc/25/87/74/269258774.db2.gz KGFBDLBBWFBGRB-RHSMWYFYSA-N 2 2 333.432 2.364 20 5 EEBDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344206079 279264043 /nfs/dbraw/zinc/26/40/43/279264043.db2.gz DUJJPKWXXKGQOE-GFCCVEGCSA-N 2 2 327.812 2.449 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000140037381 463336244 /nfs/dbraw/zinc/33/62/44/463336244.db2.gz UQNZSOBPFIXRIX-RHSMWYFYSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140037381 463336245 /nfs/dbraw/zinc/33/62/45/463336245.db2.gz UQNZSOBPFIXRIX-RHSMWYFYSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140037381 463336249 /nfs/dbraw/zinc/33/62/49/463336249.db2.gz UQNZSOBPFIXRIX-RHSMWYFYSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140037381 463336252 /nfs/dbraw/zinc/33/62/52/463336252.db2.gz UQNZSOBPFIXRIX-RHSMWYFYSA-N 2 2 346.431 2.258 20 5 EEBDLP O=[N+]([O-])c1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2c(c1)COCO2 ZINC000109796406 463649188 /nfs/dbraw/zinc/64/91/88/463649188.db2.gz RINITBMQXFEZPL-UHFFFAOYSA-N 2 2 344.371 2.495 20 5 EEBDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000269760139 464084685 /nfs/dbraw/zinc/08/46/85/464084685.db2.gz APJXJFHMBCHORS-KRWDZBQOSA-N 2 2 333.388 2.257 20 5 EEBDLP CC[NH+](CC)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272516398 464641197 /nfs/dbraw/zinc/64/11/97/464641197.db2.gz KDQNCBKNQQVVGM-MRXNPFEDSA-N 2 2 331.420 2.349 20 5 EEBDLP Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420245300 467329457 /nfs/dbraw/zinc/32/94/57/467329457.db2.gz ZSAFCUMZFCDFLG-KGLIPLIRSA-N 2 2 327.388 2.464 20 5 EEBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420318815 467353944 /nfs/dbraw/zinc/35/39/44/467353944.db2.gz OZJPXTQDBZVGGY-CQSZACIVSA-N 2 2 328.800 2.150 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388289 468835184 /nfs/dbraw/zinc/83/51/84/468835184.db2.gz FSWWVAFQCGNIPM-INMHGKMJSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388289 468835189 /nfs/dbraw/zinc/83/51/89/468835189.db2.gz FSWWVAFQCGNIPM-INMHGKMJSA-N 2 2 337.395 2.417 20 5 EEBDLP Cn1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598718029 468972173 /nfs/dbraw/zinc/97/21/73/468972173.db2.gz IXDMODXSKCVYHV-CRAIPNDOSA-N 2 2 341.415 2.309 20 5 EEBDLP Cn1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598718029 468972178 /nfs/dbraw/zinc/97/21/78/468972178.db2.gz IXDMODXSKCVYHV-CRAIPNDOSA-N 2 2 341.415 2.309 20 5 EEBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718540 469019781 /nfs/dbraw/zinc/01/97/81/469019781.db2.gz KQHKKKRWPGSQRA-INIZCTEOSA-N 2 2 349.431 2.160 20 5 EEBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718540 469019789 /nfs/dbraw/zinc/01/97/89/469019789.db2.gz KQHKKKRWPGSQRA-INIZCTEOSA-N 2 2 349.431 2.160 20 5 EEBDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886140956 1202476916 /nfs/dbraw/zinc/47/69/16/1202476916.db2.gz SWOHRHJOQGRRGU-GOEBONIOSA-N 2 2 336.436 2.216 20 5 EEBDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886140956 1202476918 /nfs/dbraw/zinc/47/69/18/1202476918.db2.gz SWOHRHJOQGRRGU-GOEBONIOSA-N 2 2 336.436 2.216 20 5 EEBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001157916270 1318928919 /nfs/dbraw/zinc/92/89/19/1318928919.db2.gz QNIIMDYYHCHRPT-UHFFFAOYSA-N 2 2 348.794 2.390 20 5 EEBDLP C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000845668914 789915193 /nfs/dbraw/zinc/91/51/93/789915193.db2.gz QBJLYFCGXPEURW-ZDUSSCGKSA-N 2 2 344.371 2.422 20 5 EEBDLP O=[N+]([O-])c1cc(-c2nc(C3CC[NH2+]CC3)no2)ccc1-n1cc[nH+]c1 ZINC000843137655 795777703 /nfs/dbraw/zinc/77/77/03/795777703.db2.gz DDNLUNRUVLCRQP-UHFFFAOYSA-N 2 2 340.343 2.298 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1F ZINC001173180873 797278599 /nfs/dbraw/zinc/27/85/99/797278599.db2.gz YQSOIDANSDAYIO-NWDGAFQWSA-N 2 2 325.384 2.357 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1F ZINC001173180873 797278602 /nfs/dbraw/zinc/27/86/02/797278602.db2.gz YQSOIDANSDAYIO-NWDGAFQWSA-N 2 2 325.384 2.357 20 5 EEBDLP C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000271216617 256221069 /nfs/dbraw/zinc/22/10/69/256221069.db2.gz IZSJPDVFOPQCQD-XOKHGSTOSA-N 2 2 330.388 2.408 20 5 EEBDLP C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000271216617 256221070 /nfs/dbraw/zinc/22/10/70/256221070.db2.gz IZSJPDVFOPQCQD-XOKHGSTOSA-N 2 2 330.388 2.408 20 5 EEBDLP CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376800469 167396111 /nfs/dbraw/zinc/39/61/11/167396111.db2.gz ZLLOFGCCAAISSD-GOSISDBHSA-N 2 2 332.448 2.195 20 5 EEBDLP CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376800469 167396113 /nfs/dbraw/zinc/39/61/13/167396113.db2.gz ZLLOFGCCAAISSD-GOSISDBHSA-N 2 2 332.448 2.195 20 5 EEBDLP COc1ccc(OCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277280694 269147227 /nfs/dbraw/zinc/14/72/27/269147227.db2.gz SFTQFHIWOMKLHE-AWEZNQCLSA-N 2 2 337.420 2.398 20 5 EEBDLP COc1ccc(OCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277280694 269147228 /nfs/dbraw/zinc/14/72/28/269147228.db2.gz SFTQFHIWOMKLHE-AWEZNQCLSA-N 2 2 337.420 2.398 20 5 EEBDLP CC(C)c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000352714200 278036105 /nfs/dbraw/zinc/03/61/05/278036105.db2.gz AVWUVPJSYZYRQF-MRXNPFEDSA-N 2 2 332.448 2.198 20 5 EEBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000579097493 468308757 /nfs/dbraw/zinc/30/87/57/468308757.db2.gz BNFHAZMHSCTJHT-UHFFFAOYSA-N 2 2 339.465 2.048 20 5 EEBDLP CC[NH+]1CCC([N@H+]2CCCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000579097493 468308760 /nfs/dbraw/zinc/30/87/60/468308760.db2.gz BNFHAZMHSCTJHT-UHFFFAOYSA-N 2 2 339.465 2.048 20 5 EEBDLP Cc1c(NC(=O)CC[N@H+](C)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000124466437 463427645 /nfs/dbraw/zinc/42/76/45/463427645.db2.gz BXJKORNSJYVJDR-UHFFFAOYSA-N 2 2 345.403 2.450 20 5 EEBDLP Cc1c(NC(=O)CC[N@@H+](C)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000124466437 463427648 /nfs/dbraw/zinc/42/76/48/463427648.db2.gz BXJKORNSJYVJDR-UHFFFAOYSA-N 2 2 345.403 2.450 20 5 EEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330871747 465839769 /nfs/dbraw/zinc/83/97/69/465839769.db2.gz RFTNUXQUXAFJAV-PBHICJAKSA-N 2 2 348.447 2.362 20 5 EEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330871747 465839776 /nfs/dbraw/zinc/83/97/76/465839776.db2.gz RFTNUXQUXAFJAV-PBHICJAKSA-N 2 2 348.447 2.362 20 5 EEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330871747 465839781 /nfs/dbraw/zinc/83/97/81/465839781.db2.gz RFTNUXQUXAFJAV-PBHICJAKSA-N 2 2 348.447 2.362 20 5 EEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330871747 465839788 /nfs/dbraw/zinc/83/97/88/465839788.db2.gz RFTNUXQUXAFJAV-PBHICJAKSA-N 2 2 348.447 2.362 20 5 EEBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]12 ZINC000346830805 466183331 /nfs/dbraw/zinc/18/33/31/466183331.db2.gz PDPSBJNKFLYSQF-JIMOISOXSA-N 2 2 327.331 2.365 20 5 EEBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]12 ZINC000346830805 466183338 /nfs/dbraw/zinc/18/33/38/466183338.db2.gz PDPSBJNKFLYSQF-JIMOISOXSA-N 2 2 327.331 2.365 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427887347 467184607 /nfs/dbraw/zinc/18/46/07/467184607.db2.gz SKFPIXOGYGHAFZ-OCCSQVGLSA-N 2 2 343.387 2.113 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430931568 467477959 /nfs/dbraw/zinc/47/79/59/467477959.db2.gz XDMDSGIGJKKJNJ-GXSJLCMTSA-N 2 2 345.346 2.374 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430931568 467477961 /nfs/dbraw/zinc/47/79/61/467477961.db2.gz XDMDSGIGJKKJNJ-GXSJLCMTSA-N 2 2 345.346 2.374 20 5 EEBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000602819523 469095847 /nfs/dbraw/zinc/09/58/47/469095847.db2.gz STEZWEBIYYHUFE-UHFFFAOYSA-N 2 2 345.403 2.347 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)OCCO2 ZINC000611268126 469214839 /nfs/dbraw/zinc/21/48/39/469214839.db2.gz PQVBDFYLNUCRAI-CQSZACIVSA-N 2 2 344.371 2.400 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)OCCO2 ZINC000611268126 469214844 /nfs/dbraw/zinc/21/48/44/469214844.db2.gz PQVBDFYLNUCRAI-CQSZACIVSA-N 2 2 344.371 2.400 20 5 EEBDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532708 469488021 /nfs/dbraw/zinc/48/80/21/469488021.db2.gz VGNSFXBZFWMCNH-ZDUSSCGKSA-N 2 2 335.404 2.186 20 5 EEBDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532708 469488026 /nfs/dbraw/zinc/48/80/26/469488026.db2.gz VGNSFXBZFWMCNH-ZDUSSCGKSA-N 2 2 335.404 2.186 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258025 469907133 /nfs/dbraw/zinc/90/71/33/469907133.db2.gz ISHRRIMVARUOJT-AWEZNQCLSA-N 2 2 343.387 2.375 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258025 469907138 /nfs/dbraw/zinc/90/71/38/469907138.db2.gz ISHRRIMVARUOJT-AWEZNQCLSA-N 2 2 343.387 2.375 20 5 EEBDLP COc1c(O)ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000894496803 682930912 /nfs/dbraw/zinc/93/09/12/682930912.db2.gz QWFRLEIRIZLJPN-GXTWGEPZSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000894496803 682930914 /nfs/dbraw/zinc/93/09/14/682930914.db2.gz QWFRLEIRIZLJPN-GXTWGEPZSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000894496803 682930916 /nfs/dbraw/zinc/93/09/16/682930916.db2.gz QWFRLEIRIZLJPN-GXTWGEPZSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000894496803 682930919 /nfs/dbraw/zinc/93/09/19/682930919.db2.gz QWFRLEIRIZLJPN-GXTWGEPZSA-N 2 2 335.404 2.225 20 5 EEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346147 1315895316 /nfs/dbraw/zinc/89/53/16/1315895316.db2.gz MGDNOHFKXATMNK-IAQYHMDHSA-N 2 2 338.383 2.264 20 5 EEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346147 1315895317 /nfs/dbraw/zinc/89/53/17/1315895317.db2.gz MGDNOHFKXATMNK-IAQYHMDHSA-N 2 2 338.383 2.264 20 5 EEBDLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843356045 1315898884 /nfs/dbraw/zinc/89/88/84/1315898884.db2.gz PKTHSLFANNGHDF-AWEZNQCLSA-N 2 2 328.800 2.150 20 5 EEBDLP COc1cc(N2CCC([NH2+][C@@H](C)C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001256086635 1318644491 /nfs/dbraw/zinc/64/44/91/1318644491.db2.gz ZVXQVDROOOAAKS-ZDUSSCGKSA-N 2 2 336.436 2.112 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000923401457 789502480 /nfs/dbraw/zinc/50/24/80/789502480.db2.gz NGLKDDCPNVBXPR-XBFCOCLRSA-N 2 2 347.337 2.087 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000923401457 789502487 /nfs/dbraw/zinc/50/24/87/789502487.db2.gz NGLKDDCPNVBXPR-XBFCOCLRSA-N 2 2 347.337 2.087 20 5 EEBDLP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c([N+](=O)[O-])cc1OC ZINC000092253624 218130425 /nfs/dbraw/zinc/13/04/25/218130425.db2.gz SZTRPGYOEWMWBW-ZDUSSCGKSA-N 2 2 337.420 2.386 20 5 EEBDLP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c([N+](=O)[O-])cc1OC ZINC000092253624 218130427 /nfs/dbraw/zinc/13/04/27/218130427.db2.gz SZTRPGYOEWMWBW-ZDUSSCGKSA-N 2 2 337.420 2.386 20 5 EEBDLP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000092253624 218130429 /nfs/dbraw/zinc/13/04/29/218130429.db2.gz SZTRPGYOEWMWBW-ZDUSSCGKSA-N 2 2 337.420 2.386 20 5 EEBDLP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000092253624 218130430 /nfs/dbraw/zinc/13/04/30/218130430.db2.gz SZTRPGYOEWMWBW-ZDUSSCGKSA-N 2 2 337.420 2.386 20 5 EEBDLP C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000374322446 154050319 /nfs/dbraw/zinc/05/03/19/154050319.db2.gz DARUNCYQFVLKEX-DOTOQJQBSA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000374322446 154050321 /nfs/dbraw/zinc/05/03/21/154050321.db2.gz DARUNCYQFVLKEX-DOTOQJQBSA-N 2 2 332.448 2.053 20 5 EEBDLP CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)C1CC[NH+](C)CC1 ZINC000282641276 464894335 /nfs/dbraw/zinc/89/43/35/464894335.db2.gz BRFCKKQREALLDM-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)C1CC[NH+](C)CC1 ZINC000282641276 464894339 /nfs/dbraw/zinc/89/43/39/464894339.db2.gz BRFCKKQREALLDM-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282641276 464894348 /nfs/dbraw/zinc/89/43/48/464894348.db2.gz BRFCKKQREALLDM-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282641276 464894354 /nfs/dbraw/zinc/89/43/54/464894354.db2.gz BRFCKKQREALLDM-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601144297 468759250 /nfs/dbraw/zinc/75/92/50/468759250.db2.gz ILXDUFOJSPFEJQ-AWEZNQCLSA-N 2 2 343.431 2.003 20 5 EEBDLP C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601144297 468759253 /nfs/dbraw/zinc/75/92/53/468759253.db2.gz ILXDUFOJSPFEJQ-AWEZNQCLSA-N 2 2 343.431 2.003 20 5 EEBDLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602712725 469027669 /nfs/dbraw/zinc/02/76/69/469027669.db2.gz FHODECQXHCXSSU-HNNXBMFYSA-N 2 2 333.436 2.033 20 5 EEBDLP CCC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602712725 469027676 /nfs/dbraw/zinc/02/76/76/469027676.db2.gz FHODECQXHCXSSU-HNNXBMFYSA-N 2 2 333.436 2.033 20 5 EEBDLP CN(C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609257941 469907273 /nfs/dbraw/zinc/90/72/73/469907273.db2.gz HLEZYFGBKUVSDY-INIZCTEOSA-N 2 2 343.387 2.091 20 5 EEBDLP CN(C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609257941 469907277 /nfs/dbraw/zinc/90/72/77/469907277.db2.gz HLEZYFGBKUVSDY-INIZCTEOSA-N 2 2 343.387 2.091 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028583 577589230 /nfs/dbraw/zinc/58/92/30/577589230.db2.gz GOUOSTQFJKPMLP-GDBMZVCRSA-N 2 2 330.388 2.241 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028583 577589231 /nfs/dbraw/zinc/58/92/31/577589231.db2.gz GOUOSTQFJKPMLP-GDBMZVCRSA-N 2 2 330.388 2.241 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000755790406 577831418 /nfs/dbraw/zinc/83/14/18/577831418.db2.gz OBIJIQXZIRQVPM-LBPRGKRZSA-N 2 2 326.360 2.125 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000755790406 577831419 /nfs/dbraw/zinc/83/14/19/577831419.db2.gz OBIJIQXZIRQVPM-LBPRGKRZSA-N 2 2 326.360 2.125 20 5 EEBDLP COc1c(O)ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000892227441 678280521 /nfs/dbraw/zinc/28/05/21/678280521.db2.gz KJNZCNDOJKOHTB-GXTWGEPZSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000892227441 678280522 /nfs/dbraw/zinc/28/05/22/678280522.db2.gz KJNZCNDOJKOHTB-GXTWGEPZSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000892227441 678280528 /nfs/dbraw/zinc/28/05/28/678280528.db2.gz KJNZCNDOJKOHTB-GXTWGEPZSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000892227441 678280532 /nfs/dbraw/zinc/28/05/32/678280532.db2.gz KJNZCNDOJKOHTB-GXTWGEPZSA-N 2 2 335.404 2.225 20 5 EEBDLP C[NH+]1CCN(C2C[NH+](Cc3ccc4ccc5cccnc5c4n3)C2)CC1 ZINC001232225525 1304043872 /nfs/dbraw/zinc/04/38/72/1304043872.db2.gz DANMHKCYIHXUQP-UHFFFAOYSA-N 2 2 347.466 2.215 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1F ZINC001246089370 1310233426 /nfs/dbraw/zinc/23/34/26/1310233426.db2.gz DLBJAPYMTGDUFI-NEPJUHHUSA-N 2 2 325.384 2.405 20 5 EEBDLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1 ZINC001158260237 1319121228 /nfs/dbraw/zinc/12/12/28/1319121228.db2.gz YZJFMGNFRIKHKR-CYBMUJFWSA-N 2 2 341.415 2.145 20 5 EEBDLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1 ZINC001158260237 1319121231 /nfs/dbraw/zinc/12/12/31/1319121231.db2.gz YZJFMGNFRIKHKR-CYBMUJFWSA-N 2 2 341.415 2.145 20 5 EEBDLP CC1(C)C[NH2+][C@H]1C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001576469408 1403575644 /nfs/dbraw/zinc/57/56/44/1403575644.db2.gz NRLFQECWODPFSD-KRWDZBQOSA-N 2 2 346.431 2.243 20 5 EEBDLP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017365 218186074 /nfs/dbraw/zinc/18/60/74/218186074.db2.gz ABLFFFRBXDIFPH-QGZVFWFLSA-N 2 2 333.432 2.447 20 5 EEBDLP Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017365 218186076 /nfs/dbraw/zinc/18/60/76/218186076.db2.gz ABLFFFRBXDIFPH-QGZVFWFLSA-N 2 2 333.432 2.447 20 5 EEBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000254994865 160397129 /nfs/dbraw/zinc/39/71/29/160397129.db2.gz WXZILQUABQACSB-ALCCZGGFSA-N 2 2 344.459 2.321 20 5 EEBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000248173171 277069262 /nfs/dbraw/zinc/06/92/62/277069262.db2.gz VDSIWVPGORJGLG-CXAGYDPISA-N 2 2 347.415 2.377 20 5 EEBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000248173171 277069263 /nfs/dbraw/zinc/06/92/63/277069263.db2.gz VDSIWVPGORJGLG-CXAGYDPISA-N 2 2 347.415 2.377 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000248173171 277069264 /nfs/dbraw/zinc/06/92/64/277069264.db2.gz VDSIWVPGORJGLG-CXAGYDPISA-N 2 2 347.415 2.377 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000248173171 277069265 /nfs/dbraw/zinc/06/92/65/277069265.db2.gz VDSIWVPGORJGLG-CXAGYDPISA-N 2 2 347.415 2.377 20 5 EEBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427877659 278222282 /nfs/dbraw/zinc/22/22/82/278222282.db2.gz TZSQHUCEBPJAGJ-GXTWGEPZSA-N 2 2 343.387 2.113 20 5 EEBDLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414979018 313119417 /nfs/dbraw/zinc/11/94/17/313119417.db2.gz TTXAYRTWVXLSDA-OAHLLOKOSA-N 2 2 346.456 2.317 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536066737 468341923 /nfs/dbraw/zinc/34/19/23/468341923.db2.gz IRTCPDLWTPNQOU-OLZOCXBDSA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536066737 468341926 /nfs/dbraw/zinc/34/19/26/468341926.db2.gz IRTCPDLWTPNQOU-OLZOCXBDSA-N 2 2 343.387 2.145 20 5 EEBDLP CC(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000369267210 466723246 /nfs/dbraw/zinc/72/32/46/466723246.db2.gz OJDSTUOHXILVDO-OAHLLOKOSA-N 2 2 346.431 2.378 20 5 EEBDLP CC(=O)c1ccc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000369267210 466723251 /nfs/dbraw/zinc/72/32/51/466723251.db2.gz OJDSTUOHXILVDO-OAHLLOKOSA-N 2 2 346.431 2.378 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423367525 466730447 /nfs/dbraw/zinc/73/04/47/466730447.db2.gz MQTYVIIRJAGIQK-SQWLQELKSA-N 2 2 329.404 2.277 20 5 EEBDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000591729125 468512239 /nfs/dbraw/zinc/51/22/39/468512239.db2.gz ZFNIKNOCIIQYRS-GOSISDBHSA-N 2 2 329.400 2.177 20 5 EEBDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000591729125 468512243 /nfs/dbraw/zinc/51/22/43/468512243.db2.gz ZFNIKNOCIIQYRS-GOSISDBHSA-N 2 2 329.400 2.177 20 5 EEBDLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000582735201 468587739 /nfs/dbraw/zinc/58/77/39/468587739.db2.gz DMXYJKJWTCVFNF-PBHICJAKSA-N 2 2 333.432 2.265 20 5 EEBDLP Cc1cc(N[C@@H]2CC[NH2+]C23CCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000600950396 468694569 /nfs/dbraw/zinc/69/45/69/468694569.db2.gz GPPPFPMZVSGSQM-OAHLLOKOSA-N 2 2 339.399 2.479 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718722 469020838 /nfs/dbraw/zinc/02/08/38/469020838.db2.gz UZWKWMQGBPVINF-MRXNPFEDSA-N 2 2 349.431 2.290 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718722 469020842 /nfs/dbraw/zinc/02/08/42/469020842.db2.gz UZWKWMQGBPVINF-MRXNPFEDSA-N 2 2 349.431 2.290 20 5 EEBDLP CCCC[C@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000162720345 528952037 /nfs/dbraw/zinc/95/20/37/528952037.db2.gz GBRAFGDFRHDYET-CYBMUJFWSA-N 2 2 331.376 2.028 20 5 EEBDLP Cc1c(NC(=O)CC[N@@H+]2CCC[C@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000903865769 1242222018 /nfs/dbraw/zinc/22/20/18/1242222018.db2.gz REAAXHIXFUJKOW-QGZVFWFLSA-N 2 2 332.404 2.060 20 5 EEBDLP Cc1c(NC(=O)CC[N@H+]2CCC[C@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000903865769 1242222024 /nfs/dbraw/zinc/22/20/24/1242222024.db2.gz REAAXHIXFUJKOW-QGZVFWFLSA-N 2 2 332.404 2.060 20 5 EEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001254545967 1318117731 /nfs/dbraw/zinc/11/77/31/1318117731.db2.gz DTXZTRCAULVBCY-ZBFHGGJFSA-N 2 2 333.432 2.369 20 5 EEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001254545967 1318117738 /nfs/dbraw/zinc/11/77/38/1318117738.db2.gz DTXZTRCAULVBCY-ZBFHGGJFSA-N 2 2 333.432 2.369 20 5 EEBDLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008250 803569659 /nfs/dbraw/zinc/56/96/59/803569659.db2.gz SKUUDBRLXHBCQC-ZSYWTGECSA-N 2 2 347.459 2.311 20 5 EEBDLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008250 803569660 /nfs/dbraw/zinc/56/96/60/803569660.db2.gz SKUUDBRLXHBCQC-ZSYWTGECSA-N 2 2 347.459 2.311 20 5 EEBDLP COc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000173787142 231032702 /nfs/dbraw/zinc/03/27/02/231032702.db2.gz FJFMHWVSBUVGNA-HNNXBMFYSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000173787142 231032703 /nfs/dbraw/zinc/03/27/03/231032703.db2.gz FJFMHWVSBUVGNA-HNNXBMFYSA-N 2 2 349.431 2.400 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000130363212 223147853 /nfs/dbraw/zinc/14/78/53/223147853.db2.gz RYNGYWXPIAIVBH-UHFFFAOYSA-N 2 2 331.376 2.060 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130363212 223147855 /nfs/dbraw/zinc/14/78/55/223147855.db2.gz RYNGYWXPIAIVBH-UHFFFAOYSA-N 2 2 331.376 2.060 20 5 EEBDLP Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000173717830 152190647 /nfs/dbraw/zinc/19/06/47/152190647.db2.gz CRJLVLQJUJJPSA-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000173717830 152190648 /nfs/dbraw/zinc/19/06/48/152190648.db2.gz CRJLVLQJUJJPSA-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000124232454 222395996 /nfs/dbraw/zinc/39/59/96/222395996.db2.gz HBCYMESJKVAHIV-UHFFFAOYSA-N 2 2 345.403 2.450 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124232454 222395999 /nfs/dbraw/zinc/39/59/99/222395999.db2.gz HBCYMESJKVAHIV-UHFFFAOYSA-N 2 2 345.403 2.450 20 5 EEBDLP C[C@@H](CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000272554455 274175322 /nfs/dbraw/zinc/17/53/22/274175322.db2.gz RYANZAOGAUAXQF-GUYCJALGSA-N 2 2 343.431 2.490 20 5 EEBDLP C[C@@H](CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000272554455 274175324 /nfs/dbraw/zinc/17/53/24/274175324.db2.gz RYANZAOGAUAXQF-GUYCJALGSA-N 2 2 343.431 2.490 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCn1cc[nH+]c1 ZINC000124384678 463416359 /nfs/dbraw/zinc/41/63/59/463416359.db2.gz DDTHJFXRBYSLGL-CYBMUJFWSA-N 2 2 331.376 2.140 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124384678 463416366 /nfs/dbraw/zinc/41/63/66/463416366.db2.gz DDTHJFXRBYSLGL-CYBMUJFWSA-N 2 2 331.376 2.140 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000351864209 465404754 /nfs/dbraw/zinc/40/47/54/465404754.db2.gz WSIVUOJXFPBPSK-UWVGGRQHSA-N 2 2 345.346 2.374 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000351864209 465404757 /nfs/dbraw/zinc/40/47/57/465404757.db2.gz WSIVUOJXFPBPSK-UWVGGRQHSA-N 2 2 345.346 2.374 20 5 EEBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)CC1 ZINC000420625044 467436405 /nfs/dbraw/zinc/43/64/05/467436405.db2.gz KBLIRNLPSJPVJI-UHFFFAOYSA-N 2 2 347.463 2.295 20 5 EEBDLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)CC1 ZINC000420625044 467436408 /nfs/dbraw/zinc/43/64/08/467436408.db2.gz KBLIRNLPSJPVJI-UHFFFAOYSA-N 2 2 347.463 2.295 20 5 EEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449386970 467635111 /nfs/dbraw/zinc/63/51/11/467635111.db2.gz KEZNQKDLPYWSMX-WBVHZDCISA-N 2 2 335.448 2.352 20 5 EEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449386970 467635112 /nfs/dbraw/zinc/63/51/12/467635112.db2.gz KEZNQKDLPYWSMX-WBVHZDCISA-N 2 2 335.448 2.352 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600729073 468638452 /nfs/dbraw/zinc/63/84/52/468638452.db2.gz WORKWQHANTYVFS-NEPJUHHUSA-N 2 2 347.337 2.433 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600729073 468638454 /nfs/dbraw/zinc/63/84/54/468638454.db2.gz WORKWQHANTYVFS-NEPJUHHUSA-N 2 2 347.337 2.433 20 5 EEBDLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602508483 469343571 /nfs/dbraw/zinc/34/35/71/469343571.db2.gz NAMCZOCLVUVYBJ-OAHLLOKOSA-N 2 2 347.463 2.423 20 5 EEBDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850558863 1277267491 /nfs/dbraw/zinc/26/74/91/1277267491.db2.gz UXOYHZIJMIIFIS-DOMZBBRYSA-N 2 2 334.420 2.081 20 5 EEBDLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953699 785103448 /nfs/dbraw/zinc/10/34/48/785103448.db2.gz SYFAMSBESHYSIZ-GFCCVEGCSA-N 2 2 342.403 2.155 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(C)([NH3+])CC2)c1F ZINC001173185367 797280308 /nfs/dbraw/zinc/28/03/08/797280308.db2.gz YSPHNBMVQQSWSO-LLVKDONJSA-N 2 2 325.384 2.487 20 5 EEBDLP COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168740384 802755305 /nfs/dbraw/zinc/75/53/05/802755305.db2.gz GWFOMJACDRLGJA-UHFFFAOYSA-N 2 2 341.799 2.159 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000355528697 163221956 /nfs/dbraw/zinc/22/19/56/163221956.db2.gz HQRYMVKWQCBISN-CQSZACIVSA-N 2 2 332.404 2.163 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000355528697 163221960 /nfs/dbraw/zinc/22/19/60/163221960.db2.gz HQRYMVKWQCBISN-CQSZACIVSA-N 2 2 332.404 2.163 20 5 EEBDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000155344541 274246897 /nfs/dbraw/zinc/24/68/97/274246897.db2.gz UXFCQHPAEAYNEW-RHSMWYFYSA-N 2 2 348.447 2.188 20 5 EEBDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000155344541 274246898 /nfs/dbraw/zinc/24/68/98/274246898.db2.gz UXFCQHPAEAYNEW-RHSMWYFYSA-N 2 2 348.447 2.188 20 5 EEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)n1 ZINC000447596272 280377225 /nfs/dbraw/zinc/37/72/25/280377225.db2.gz CCRXLPJMFIRIQL-MELADBBJSA-N 2 2 330.392 2.076 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NC[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591577704 468485967 /nfs/dbraw/zinc/48/59/67/468485967.db2.gz BBABGGYSYCGKDM-ZBFHGGJFSA-N 2 2 329.404 2.149 20 5 EEBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317852 466832122 /nfs/dbraw/zinc/83/21/22/466832122.db2.gz XNHRUVGIDKPPPI-FUHWJXTLSA-N 2 2 332.448 2.198 20 5 EEBDLP [NH3+][C@H]1CCC[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420284484 467337724 /nfs/dbraw/zinc/33/77/24/467337724.db2.gz OWROEHMMRUSVOZ-ZBFHGGJFSA-N 2 2 348.447 2.356 20 5 EEBDLP C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000420301022 467344113 /nfs/dbraw/zinc/34/41/13/467344113.db2.gz ACMGFYHLAUABIL-LLVKDONJSA-N 2 2 340.811 2.261 20 5 EEBDLP C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000420301022 467344117 /nfs/dbraw/zinc/34/41/17/467344117.db2.gz ACMGFYHLAUABIL-LLVKDONJSA-N 2 2 340.811 2.261 20 5 EEBDLP COc1cc(C[NH2+]CC2([NH3+])CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414870742 467442679 /nfs/dbraw/zinc/44/26/79/467442679.db2.gz CHFMQQWCMONTHG-UHFFFAOYSA-N 2 2 345.346 2.218 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435230961 467452753 /nfs/dbraw/zinc/45/27/53/467452753.db2.gz SIGDAHQEHZGQGX-HNNXBMFYSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435230961 467452756 /nfs/dbraw/zinc/45/27/56/467452756.db2.gz SIGDAHQEHZGQGX-HNNXBMFYSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435232024 467453150 /nfs/dbraw/zinc/45/31/50/467453150.db2.gz HZXVUNLJURWZGK-HNNXBMFYSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435232024 467453153 /nfs/dbraw/zinc/45/31/53/467453153.db2.gz HZXVUNLJURWZGK-HNNXBMFYSA-N 2 2 332.404 2.058 20 5 EEBDLP CC[C@H]([NH3+])C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000414989757 467462442 /nfs/dbraw/zinc/46/24/42/467462442.db2.gz OAEJTZCONYYDIT-JTQLQIEISA-N 2 2 333.335 2.074 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865449 468226470 /nfs/dbraw/zinc/22/64/70/468226470.db2.gz NSUJCNMBQLOQIS-CHWSQXEVSA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865449 468226476 /nfs/dbraw/zinc/22/64/76/468226476.db2.gz NSUJCNMBQLOQIS-CHWSQXEVSA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[C@H](C)[NH+]1CCOCC1 ZINC000601113918 468745772 /nfs/dbraw/zinc/74/57/72/468745772.db2.gz JITNXDKERPHEFY-STQMWFEESA-N 2 2 330.388 2.086 20 5 EEBDLP CC(C)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000598990707 469078905 /nfs/dbraw/zinc/07/89/05/469078905.db2.gz REJUXSPTICJEOF-INIZCTEOSA-N 2 2 348.447 2.148 20 5 EEBDLP CC(C)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000598990707 469078915 /nfs/dbraw/zinc/07/89/15/469078915.db2.gz REJUXSPTICJEOF-INIZCTEOSA-N 2 2 348.447 2.148 20 5 EEBDLP COc1c(O)ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000892679840 682471074 /nfs/dbraw/zinc/47/10/74/682471074.db2.gz RLXSYYNFRNITRP-UHFFFAOYSA-N 2 2 335.404 2.416 20 5 EEBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843356047 1315898571 /nfs/dbraw/zinc/89/85/71/1315898571.db2.gz PKTHSLFANNGHDF-CQSZACIVSA-N 2 2 328.800 2.150 20 5 EEBDLP COc1cc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC001256085267 1318642890 /nfs/dbraw/zinc/64/28/90/1318642890.db2.gz MMZHRBPAXCCKIS-INIZCTEOSA-N 2 2 348.447 2.256 20 5 EEBDLP COc1cc(N2CCC([NH2+]C[C@@H]3CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC001256085267 1318642899 /nfs/dbraw/zinc/64/28/99/1318642899.db2.gz MMZHRBPAXCCKIS-INIZCTEOSA-N 2 2 348.447 2.256 20 5 EEBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001168736408 802147284 /nfs/dbraw/zinc/14/72/84/802147284.db2.gz GRTWMYYYQVBKOA-UHFFFAOYSA-N 2 2 331.298 2.208 20 5 EEBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857403 203058689 /nfs/dbraw/zinc/05/86/89/203058689.db2.gz OTSZIHWGLVBZFO-QGZVFWFLSA-N 2 2 333.432 2.182 20 5 EEBDLP Cc1ccc(CCC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000453579738 280805696 /nfs/dbraw/zinc/80/56/96/280805696.db2.gz SAAATZZOTRQONA-UHFFFAOYSA-N 2 2 341.415 2.448 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000441255358 315176678 /nfs/dbraw/zinc/17/66/78/315176678.db2.gz KQRJWERUICDCIM-JLZZUVOBSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000441255358 315176682 /nfs/dbraw/zinc/17/66/82/315176682.db2.gz KQRJWERUICDCIM-JLZZUVOBSA-N 2 2 337.395 2.417 20 5 EEBDLP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000150861771 463442407 /nfs/dbraw/zinc/44/24/07/463442407.db2.gz WTOPSYAZTOYXAQ-CQSZACIVSA-N 2 2 347.415 2.379 20 5 EEBDLP O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000150861771 463442410 /nfs/dbraw/zinc/44/24/10/463442410.db2.gz WTOPSYAZTOYXAQ-CQSZACIVSA-N 2 2 347.415 2.379 20 5 EEBDLP CN(C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000285545734 464604373 /nfs/dbraw/zinc/60/43/73/464604373.db2.gz QHXZZXJNBGDVOM-SJPCQFCGSA-N 2 2 346.431 2.115 20 5 EEBDLP CN(C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000285545734 464604377 /nfs/dbraw/zinc/60/43/77/464604377.db2.gz QHXZZXJNBGDVOM-SJPCQFCGSA-N 2 2 346.431 2.115 20 5 EEBDLP CN(C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000285545734 464604382 /nfs/dbraw/zinc/60/43/82/464604382.db2.gz QHXZZXJNBGDVOM-SJPCQFCGSA-N 2 2 346.431 2.115 20 5 EEBDLP CN(C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000285545734 464604384 /nfs/dbraw/zinc/60/43/84/464604384.db2.gz QHXZZXJNBGDVOM-SJPCQFCGSA-N 2 2 346.431 2.115 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000346327850 466082228 /nfs/dbraw/zinc/08/22/28/466082228.db2.gz IRNOIJYWMPOLFB-IOASZLSFSA-N 2 2 334.420 2.384 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346327850 466082235 /nfs/dbraw/zinc/08/22/35/466082235.db2.gz IRNOIJYWMPOLFB-IOASZLSFSA-N 2 2 334.420 2.384 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327063 466719129 /nfs/dbraw/zinc/71/91/29/466719129.db2.gz CTIBABVVIQDDHN-AEFFLSMTSA-N 2 2 343.431 2.397 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494430752 468055416 /nfs/dbraw/zinc/05/54/16/468055416.db2.gz BLZASQCPMNVPBG-NSHDSACASA-N 2 2 338.314 2.497 20 5 EEBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886140958 1202476947 /nfs/dbraw/zinc/47/69/47/1202476947.db2.gz SWOHRHJOQGRRGU-ZBFHGGJFSA-N 2 2 336.436 2.216 20 5 EEBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000886140958 1202476949 /nfs/dbraw/zinc/47/69/49/1202476949.db2.gz SWOHRHJOQGRRGU-ZBFHGGJFSA-N 2 2 336.436 2.216 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902488921 1237702710 /nfs/dbraw/zinc/70/27/10/1237702710.db2.gz OKSROQCWILGMCP-UKRRQHHQSA-N 2 2 334.420 2.434 20 5 EEBDLP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000906517822 783959882 /nfs/dbraw/zinc/95/98/82/783959882.db2.gz SWCSPRBUVQKXDM-MGCOHNPYSA-N 2 2 349.309 2.124 20 5 EEBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272507405 274173944 /nfs/dbraw/zinc/17/39/44/274173944.db2.gz OLEJYZQBOXNFOU-UHFFFAOYSA-N 2 2 340.855 2.318 20 5 EEBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272507405 274173946 /nfs/dbraw/zinc/17/39/46/274173946.db2.gz OLEJYZQBOXNFOU-UHFFFAOYSA-N 2 2 340.855 2.318 20 5 EEBDLP Cc1c(NC(=O)CC[N@@H+]2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000590600126 468283407 /nfs/dbraw/zinc/28/34/07/468283407.db2.gz KPRUBNFSGHHTAR-UHFFFAOYSA-N 2 2 329.360 2.013 20 5 EEBDLP Cc1c(NC(=O)CC[N@H+]2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000590600126 468283409 /nfs/dbraw/zinc/28/34/09/468283409.db2.gz KPRUBNFSGHHTAR-UHFFFAOYSA-N 2 2 329.360 2.013 20 5 EEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000072637081 463528565 /nfs/dbraw/zinc/52/85/65/463528565.db2.gz ZWJADRJWEGKQBB-HZPDHXFCSA-N 2 2 332.448 2.368 20 5 EEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000072637081 463528569 /nfs/dbraw/zinc/52/85/69/463528569.db2.gz ZWJADRJWEGKQBB-HZPDHXFCSA-N 2 2 332.448 2.368 20 5 EEBDLP C[NH2+][C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261762292 463851423 /nfs/dbraw/zinc/85/14/23/463851423.db2.gz NCAJJMWJCLWFIG-AWEZNQCLSA-N 2 2 330.388 2.476 20 5 EEBDLP C[NH2+][C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261762292 463851428 /nfs/dbraw/zinc/85/14/28/463851428.db2.gz NCAJJMWJCLWFIG-AWEZNQCLSA-N 2 2 330.388 2.476 20 5 EEBDLP Cc1[nH+]ccn1CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353494350 465930770 /nfs/dbraw/zinc/93/07/70/465930770.db2.gz BOSDXSASINMWGB-INIZCTEOSA-N 2 2 340.387 2.212 20 5 EEBDLP Cc1cc(NC[C@@H]2CCCC[NH2+]2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591429682 468467020 /nfs/dbraw/zinc/46/70/20/468467020.db2.gz ICIKLIYVMDPNHN-AWEZNQCLSA-N 2 2 327.388 2.336 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423348738 466725025 /nfs/dbraw/zinc/72/50/25/466725025.db2.gz UPAILUASNYGAGL-FUHWJXTLSA-N 2 2 343.431 2.397 20 5 EEBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420376281 467384576 /nfs/dbraw/zinc/38/45/76/467384576.db2.gz UXWUKNGVYVEQCK-FTGAXOIBSA-N 2 2 340.811 2.163 20 5 EEBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585718800 469021209 /nfs/dbraw/zinc/02/12/09/469021209.db2.gz YXGOOIZBVYELEO-QGZVFWFLSA-N 2 2 333.432 2.324 20 5 EEBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585718800 469021213 /nfs/dbraw/zinc/02/12/13/469021213.db2.gz YXGOOIZBVYELEO-QGZVFWFLSA-N 2 2 333.432 2.324 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593728942 469111166 /nfs/dbraw/zinc/11/11/66/469111166.db2.gz AZEMOZKQRIZFMN-CZUORRHYSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593728942 469111170 /nfs/dbraw/zinc/11/11/70/469111170.db2.gz AZEMOZKQRIZFMN-CZUORRHYSA-N 2 2 334.420 2.291 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1F ZINC000563350601 469234293 /nfs/dbraw/zinc/23/42/93/469234293.db2.gz PIHFDGBHJRDEIT-LLVKDONJSA-N 2 2 334.351 2.466 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1F ZINC000563350601 469234298 /nfs/dbraw/zinc/23/42/98/469234298.db2.gz PIHFDGBHJRDEIT-LLVKDONJSA-N 2 2 334.351 2.466 20 5 EEBDLP Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000604508356 469485155 /nfs/dbraw/zinc/48/51/55/469485155.db2.gz FBCLDYHOZXHCQF-ZIAGYGMSSA-N 2 2 325.372 2.016 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)OCCO2 ZINC000604532749 469487628 /nfs/dbraw/zinc/48/76/28/469487628.db2.gz BSLQCBFLPWJQES-KGLIPLIRSA-N 2 2 333.388 2.082 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)OCCO2 ZINC000604532749 469487633 /nfs/dbraw/zinc/48/76/33/469487633.db2.gz BSLQCBFLPWJQES-KGLIPLIRSA-N 2 2 333.388 2.082 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)OCCO2 ZINC000604532748 469487896 /nfs/dbraw/zinc/48/78/96/469487896.db2.gz BSLQCBFLPWJQES-KBPBESRZSA-N 2 2 333.388 2.082 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)OCCO2 ZINC000604532748 469487900 /nfs/dbraw/zinc/48/79/00/469487900.db2.gz BSLQCBFLPWJQES-KBPBESRZSA-N 2 2 333.388 2.082 20 5 EEBDLP Cc1nn(C[N@H+](C)CCCn2cc[nH+]c2)c2cc([N+](=O)[O-])ccc12 ZINC000121266894 677877600 /nfs/dbraw/zinc/87/76/00/677877600.db2.gz SGBKBWNZPNGFCK-UHFFFAOYSA-N 2 2 328.376 2.429 20 5 EEBDLP Cc1nn(C[N@@H+](C)CCCn2cc[nH+]c2)c2cc([N+](=O)[O-])ccc12 ZINC000121266894 677877604 /nfs/dbraw/zinc/87/76/04/677877604.db2.gz SGBKBWNZPNGFCK-UHFFFAOYSA-N 2 2 328.376 2.429 20 5 EEBDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886140957 1202476785 /nfs/dbraw/zinc/47/67/85/1202476785.db2.gz SWOHRHJOQGRRGU-HOCLYGCPSA-N 2 2 336.436 2.216 20 5 EEBDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000886140957 1202476786 /nfs/dbraw/zinc/47/67/86/1202476786.db2.gz SWOHRHJOQGRRGU-HOCLYGCPSA-N 2 2 336.436 2.216 20 5 EEBDLP [NH3+]C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Br)cc1 ZINC001168977425 803543593 /nfs/dbraw/zinc/54/35/93/803543593.db2.gz JRFCJXHEEGKSIL-SWHYSGLUSA-N 2 2 342.237 2.484 20 5 EEBDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000266092895 248091933 /nfs/dbraw/zinc/09/19/33/248091933.db2.gz IPNWSDYFTZEGLR-ZDUSSCGKSA-N 2 2 334.420 2.304 20 5 EEBDLP C[NH+](C)C1CC[NH+](CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153901748 462706533 /nfs/dbraw/zinc/70/65/33/462706533.db2.gz NZZUMFHXMZBGPW-UHFFFAOYSA-N 2 2 327.816 2.081 20 5 EEBDLP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000066138224 462855173 /nfs/dbraw/zinc/85/51/73/462855173.db2.gz AGERWBJRCQXUBP-ZDUSSCGKSA-N 2 2 345.403 2.241 20 5 EEBDLP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000066138224 462855178 /nfs/dbraw/zinc/85/51/78/462855178.db2.gz AGERWBJRCQXUBP-ZDUSSCGKSA-N 2 2 345.403 2.241 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139876848 463333736 /nfs/dbraw/zinc/33/37/36/463333736.db2.gz WSHKYJMGWAPUTH-SQWLQELKSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139876848 463333742 /nfs/dbraw/zinc/33/37/42/463333742.db2.gz WSHKYJMGWAPUTH-SQWLQELKSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139876848 463333748 /nfs/dbraw/zinc/33/37/48/463333748.db2.gz WSHKYJMGWAPUTH-SQWLQELKSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139876848 463333753 /nfs/dbraw/zinc/33/37/53/463333753.db2.gz WSHKYJMGWAPUTH-SQWLQELKSA-N 2 2 346.431 2.338 20 5 EEBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000194073760 463786394 /nfs/dbraw/zinc/78/63/94/463786394.db2.gz QYPWDFFRHUAGKW-WFASDCNBSA-N 2 2 334.376 2.419 20 5 EEBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000194073760 463786403 /nfs/dbraw/zinc/78/64/03/463786403.db2.gz QYPWDFFRHUAGKW-WFASDCNBSA-N 2 2 334.376 2.419 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000194073760 463786406 /nfs/dbraw/zinc/78/64/06/463786406.db2.gz QYPWDFFRHUAGKW-WFASDCNBSA-N 2 2 334.376 2.419 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000194073760 463786410 /nfs/dbraw/zinc/78/64/10/463786410.db2.gz QYPWDFFRHUAGKW-WFASDCNBSA-N 2 2 334.376 2.419 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593969000 468447449 /nfs/dbraw/zinc/44/74/49/468447449.db2.gz WHIYVCAYLXFTPF-ZDUSSCGKSA-N 2 2 343.387 2.065 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593969000 468447455 /nfs/dbraw/zinc/44/74/55/468447455.db2.gz WHIYVCAYLXFTPF-ZDUSSCGKSA-N 2 2 343.387 2.065 20 5 EEBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063517 465740568 /nfs/dbraw/zinc/74/05/68/465740568.db2.gz RSKGCGIPEPJLBS-UHFFFAOYSA-N 2 2 332.408 2.217 20 5 EEBDLP C[C@H](CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000353504603 465938945 /nfs/dbraw/zinc/93/89/45/465938945.db2.gz SHQGYPQSRSVWMR-DYVFJYSZSA-N 2 2 343.431 2.490 20 5 EEBDLP C[C@H](CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000353504603 465938954 /nfs/dbraw/zinc/93/89/54/465938954.db2.gz SHQGYPQSRSVWMR-DYVFJYSZSA-N 2 2 343.431 2.490 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000420355092 467375450 /nfs/dbraw/zinc/37/54/50/467375450.db2.gz BQAKTULWPPVYAB-RKOGSIPDSA-N 2 2 334.420 2.206 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000453267277 467474332 /nfs/dbraw/zinc/47/43/32/467474332.db2.gz PCFDERVOOUTPOD-MSOLQXFVSA-N 2 2 347.459 2.352 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000453267277 467474335 /nfs/dbraw/zinc/47/43/35/467474335.db2.gz PCFDERVOOUTPOD-MSOLQXFVSA-N 2 2 347.459 2.352 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532240656 468104810 /nfs/dbraw/zinc/10/48/10/468104810.db2.gz VEOLJJYAJDOANE-ZIAGYGMSSA-N 2 2 334.420 2.243 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532240656 468104814 /nfs/dbraw/zinc/10/48/14/468104814.db2.gz VEOLJJYAJDOANE-ZIAGYGMSSA-N 2 2 334.420 2.243 20 5 EEBDLP Cc1c(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000591763485 468517376 /nfs/dbraw/zinc/51/73/76/468517376.db2.gz LNGBZIRQAMVGOT-SFHVURJKSA-N 2 2 343.427 2.486 20 5 EEBDLP Cc1c(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000591763485 468517380 /nfs/dbraw/zinc/51/73/80/468517380.db2.gz LNGBZIRQAMVGOT-SFHVURJKSA-N 2 2 343.427 2.486 20 5 EEBDLP O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1-n1cc[nH+]c1 ZINC000592356300 468682527 /nfs/dbraw/zinc/68/25/27/468682527.db2.gz KSVILYICOAIHRV-NSHDSACASA-N 2 2 326.316 2.255 20 5 EEBDLP C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000611257193 469212062 /nfs/dbraw/zinc/21/20/62/469212062.db2.gz BQMPMPAKQBHBAI-CYBMUJFWSA-N 2 2 335.404 2.140 20 5 EEBDLP C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000611257193 469212065 /nfs/dbraw/zinc/21/20/65/469212065.db2.gz BQMPMPAKQBHBAI-CYBMUJFWSA-N 2 2 335.404 2.140 20 5 EEBDLP C[NH+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000611257193 469212070 /nfs/dbraw/zinc/21/20/70/469212070.db2.gz BQMPMPAKQBHBAI-CYBMUJFWSA-N 2 2 335.404 2.140 20 5 EEBDLP C[NH+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000611257193 469212073 /nfs/dbraw/zinc/21/20/73/469212073.db2.gz BQMPMPAKQBHBAI-CYBMUJFWSA-N 2 2 335.404 2.140 20 5 EEBDLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609157430 469898731 /nfs/dbraw/zinc/89/87/31/469898731.db2.gz OUVRYELRZKPJJD-CYBMUJFWSA-N 2 2 329.360 2.067 20 5 EEBDLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609157430 469898736 /nfs/dbraw/zinc/89/87/36/469898736.db2.gz OUVRYELRZKPJJD-CYBMUJFWSA-N 2 2 329.360 2.067 20 5 EEBDLP COc1c(O)ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000894496804 682930851 /nfs/dbraw/zinc/93/08/51/682930851.db2.gz QWFRLEIRIZLJPN-JSGCOSHPSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000894496804 682930853 /nfs/dbraw/zinc/93/08/53/682930853.db2.gz QWFRLEIRIZLJPN-JSGCOSHPSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000894496804 682930855 /nfs/dbraw/zinc/93/08/55/682930855.db2.gz QWFRLEIRIZLJPN-JSGCOSHPSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000894496804 682930856 /nfs/dbraw/zinc/93/08/56/682930856.db2.gz QWFRLEIRIZLJPN-JSGCOSHPSA-N 2 2 335.404 2.225 20 5 EEBDLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000129273167 1201769206 /nfs/dbraw/zinc/76/92/06/1201769206.db2.gz WPKHVQAGCLCTIG-CZUORRHYSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000129273167 1201769207 /nfs/dbraw/zinc/76/92/07/1201769207.db2.gz WPKHVQAGCLCTIG-CZUORRHYSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000129273167 1201769208 /nfs/dbraw/zinc/76/92/08/1201769208.db2.gz WPKHVQAGCLCTIG-CZUORRHYSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000129273167 1201769210 /nfs/dbraw/zinc/76/92/10/1201769210.db2.gz WPKHVQAGCLCTIG-CZUORRHYSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]2C1 ZINC000931430299 1207377087 /nfs/dbraw/zinc/37/70/87/1207377087.db2.gz NFGWJCYFZUEQPP-KGLIPLIRSA-N 2 2 343.387 2.028 20 5 EEBDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]2C1 ZINC000931430299 1207377091 /nfs/dbraw/zinc/37/70/91/1207377091.db2.gz NFGWJCYFZUEQPP-KGLIPLIRSA-N 2 2 343.387 2.028 20 5 EEBDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]2C1 ZINC000931430299 1207377094 /nfs/dbraw/zinc/37/70/94/1207377094.db2.gz NFGWJCYFZUEQPP-KGLIPLIRSA-N 2 2 343.387 2.028 20 5 EEBDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]2C1 ZINC000931430299 1207377098 /nfs/dbraw/zinc/37/70/98/1207377098.db2.gz NFGWJCYFZUEQPP-KGLIPLIRSA-N 2 2 343.387 2.028 20 5 EEBDLP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(C[NH3+])CC1 ZINC000843344924 1315894525 /nfs/dbraw/zinc/89/45/25/1315894525.db2.gz HBZDEUDDQAQUDN-SNVBAGLBSA-N 2 2 340.811 2.246 20 5 EEBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817906898 785061452 /nfs/dbraw/zinc/06/14/52/785061452.db2.gz GIYHTDPKIPSNEX-NUEKZKHPSA-N 2 2 339.823 2.495 20 5 EEBDLP C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000845662000 789912659 /nfs/dbraw/zinc/91/26/59/789912659.db2.gz DIEIPTAZTZQURD-ZDUSSCGKSA-N 2 2 344.371 2.422 20 5 EEBDLP CN(C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000420378526 239794586 /nfs/dbraw/zinc/79/45/86/239794586.db2.gz XEEKWRAZGBJQEC-MRXNPFEDSA-N 2 2 334.420 2.055 20 5 EEBDLP Cn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427102189 241375957 /nfs/dbraw/zinc/37/59/57/241375957.db2.gz FJBWWXPJZFPXPO-RHSMWYFYSA-N 2 2 341.415 2.179 20 5 EEBDLP Cn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427102189 241375960 /nfs/dbraw/zinc/37/59/60/241375960.db2.gz FJBWWXPJZFPXPO-RHSMWYFYSA-N 2 2 341.415 2.179 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000297383398 294228697 /nfs/dbraw/zinc/22/86/97/294228697.db2.gz RGIPKZFJVAOOJU-ZWKOTPCHSA-N 2 2 347.459 2.352 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000297383398 294228699 /nfs/dbraw/zinc/22/86/99/294228699.db2.gz RGIPKZFJVAOOJU-ZWKOTPCHSA-N 2 2 347.459 2.352 20 5 EEBDLP Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326123502 465034730 /nfs/dbraw/zinc/03/47/30/465034730.db2.gz GIFAOLAWMWJOPQ-AWEZNQCLSA-N 2 2 329.404 2.109 20 5 EEBDLP Cc1cc(NC[C@H]2CN(C)CC[N@H+]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326123502 465034734 /nfs/dbraw/zinc/03/47/34/465034734.db2.gz GIFAOLAWMWJOPQ-AWEZNQCLSA-N 2 2 329.404 2.109 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357084351 465755279 /nfs/dbraw/zinc/75/52/79/465755279.db2.gz PVCCXLHRFUGZEC-PWSUYJOCSA-N 2 2 327.331 2.238 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357084351 465755283 /nfs/dbraw/zinc/75/52/83/465755283.db2.gz PVCCXLHRFUGZEC-PWSUYJOCSA-N 2 2 327.331 2.238 20 5 EEBDLP CC(C)[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353497576 465932757 /nfs/dbraw/zinc/93/27/57/465932757.db2.gz PNAGFXQBLLYHQU-INIZCTEOSA-N 2 2 331.420 2.348 20 5 EEBDLP CC(C)[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353497576 465932762 /nfs/dbraw/zinc/93/27/62/465932762.db2.gz PNAGFXQBLLYHQU-INIZCTEOSA-N 2 2 331.420 2.348 20 5 EEBDLP C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435614368 467481535 /nfs/dbraw/zinc/48/15/35/467481535.db2.gz MLCYFCCJERYHRW-CYBMUJFWSA-N 2 2 331.376 2.219 20 5 EEBDLP C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435614368 467481538 /nfs/dbraw/zinc/48/15/38/467481538.db2.gz MLCYFCCJERYHRW-CYBMUJFWSA-N 2 2 331.376 2.219 20 5 EEBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449062223 467615972 /nfs/dbraw/zinc/61/59/72/467615972.db2.gz YCIVQCLONJWNRP-NVXWUHKLSA-N 2 2 335.448 2.472 20 5 EEBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449062223 467615974 /nfs/dbraw/zinc/61/59/74/467615974.db2.gz YCIVQCLONJWNRP-NVXWUHKLSA-N 2 2 335.448 2.472 20 5 EEBDLP C[NH+](C)C1CC[NH+](CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601124932 468752105 /nfs/dbraw/zinc/75/21/05/468752105.db2.gz KEAMRHLSVMJIMB-UHFFFAOYSA-N 3 2 343.431 2.003 20 5 EEBDLP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000602830747 469103936 /nfs/dbraw/zinc/10/39/36/469103936.db2.gz WQXAHGBXVDXNLW-UHFFFAOYSA-N 2 2 335.408 2.147 20 5 EEBDLP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000602830747 469103940 /nfs/dbraw/zinc/10/39/40/469103940.db2.gz WQXAHGBXVDXNLW-UHFFFAOYSA-N 2 2 335.408 2.147 20 5 EEBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000602830747 469103947 /nfs/dbraw/zinc/10/39/47/469103947.db2.gz WQXAHGBXVDXNLW-UHFFFAOYSA-N 2 2 335.408 2.147 20 5 EEBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000602830747 469103952 /nfs/dbraw/zinc/10/39/52/469103952.db2.gz WQXAHGBXVDXNLW-UHFFFAOYSA-N 2 2 335.408 2.147 20 5 EEBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC([NH2+]CCO)CC2)o1 ZINC000602020472 469148978 /nfs/dbraw/zinc/14/89/78/469148978.db2.gz LXIYJSKGAQQTAK-UHFFFAOYSA-N 2 2 345.399 2.401 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157341 469897583 /nfs/dbraw/zinc/89/75/83/469897583.db2.gz DTLTWQNAIOPCJG-ZIAGYGMSSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157341 469897587 /nfs/dbraw/zinc/89/75/87/469897587.db2.gz DTLTWQNAIOPCJG-ZIAGYGMSSA-N 2 2 343.387 2.455 20 5 EEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000877642325 1200002022 /nfs/dbraw/zinc/00/20/22/1200002022.db2.gz UNGKTIHZWXQWHX-UHFFFAOYSA-N 2 2 329.404 2.267 20 5 EEBDLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000129203948 1201753774 /nfs/dbraw/zinc/75/37/74/1201753774.db2.gz WDJKSNUTAHGBSF-ZBFHGGJFSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000129203948 1201753776 /nfs/dbraw/zinc/75/37/76/1201753776.db2.gz WDJKSNUTAHGBSF-ZBFHGGJFSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000129203948 1201753779 /nfs/dbraw/zinc/75/37/79/1201753779.db2.gz WDJKSNUTAHGBSF-ZBFHGGJFSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000129203948 1201753782 /nfs/dbraw/zinc/75/37/82/1201753782.db2.gz WDJKSNUTAHGBSF-ZBFHGGJFSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000247093732 1213632767 /nfs/dbraw/zinc/63/27/67/1213632767.db2.gz PNYKMYZMUMGSDG-XJKSGUPXSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000247093732 1213632769 /nfs/dbraw/zinc/63/27/69/1213632769.db2.gz PNYKMYZMUMGSDG-XJKSGUPXSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000247093732 1213632772 /nfs/dbraw/zinc/63/27/72/1213632772.db2.gz PNYKMYZMUMGSDG-XJKSGUPXSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000247093732 1213632774 /nfs/dbraw/zinc/63/27/74/1213632774.db2.gz PNYKMYZMUMGSDG-XJKSGUPXSA-N 2 2 329.404 2.318 20 5 EEBDLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)C1 ZINC001158260555 1319121471 /nfs/dbraw/zinc/12/14/71/1319121471.db2.gz FHSOFDSIKCDEAP-AWEZNQCLSA-N 2 2 341.415 2.145 20 5 EEBDLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)C1 ZINC001158260555 1319121477 /nfs/dbraw/zinc/12/14/77/1319121477.db2.gz FHSOFDSIKCDEAP-AWEZNQCLSA-N 2 2 341.415 2.145 20 5 EEBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423087510 240358461 /nfs/dbraw/zinc/35/84/61/240358461.db2.gz OIFNCSDQKOEBLW-ZWNOBZJWSA-N 2 2 347.337 2.470 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423367520 294428844 /nfs/dbraw/zinc/42/88/44/294428844.db2.gz MQTYVIIRJAGIQK-IIAWOOMASA-N 2 2 329.404 2.277 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246188765 464556561 /nfs/dbraw/zinc/55/65/61/464556561.db2.gz SVSUTVUQFMGGDY-KBPBESRZSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246188765 464556565 /nfs/dbraw/zinc/55/65/65/464556565.db2.gz SVSUTVUQFMGGDY-KBPBESRZSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246188765 464556573 /nfs/dbraw/zinc/55/65/73/464556573.db2.gz SVSUTVUQFMGGDY-KBPBESRZSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246188765 464556575 /nfs/dbraw/zinc/55/65/75/464556575.db2.gz SVSUTVUQFMGGDY-KBPBESRZSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420376287 467384126 /nfs/dbraw/zinc/38/41/26/467384126.db2.gz UXWUKNGVYVEQCK-IQMDTDKHSA-N 2 2 340.811 2.163 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449395684 467637755 /nfs/dbraw/zinc/63/77/55/467637755.db2.gz JVQDNRSGAUZDDA-JBXOJTMHSA-N 2 2 333.432 2.435 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449395684 467637759 /nfs/dbraw/zinc/63/77/59/467637759.db2.gz JVQDNRSGAUZDDA-JBXOJTMHSA-N 2 2 333.432 2.435 20 5 EEBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595470856 468866222 /nfs/dbraw/zinc/86/62/22/468866222.db2.gz UAOSNNRQTLARAC-MRXNPFEDSA-N 2 2 349.431 2.160 20 5 EEBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595470856 468866229 /nfs/dbraw/zinc/86/62/29/468866229.db2.gz UAOSNNRQTLARAC-MRXNPFEDSA-N 2 2 349.431 2.160 20 5 EEBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718501 469020469 /nfs/dbraw/zinc/02/04/69/469020469.db2.gz IWAGNYRSLNSGRF-MRXNPFEDSA-N 2 2 349.431 2.160 20 5 EEBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718501 469020474 /nfs/dbraw/zinc/02/04/74/469020474.db2.gz IWAGNYRSLNSGRF-MRXNPFEDSA-N 2 2 349.431 2.160 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589199533 469211810 /nfs/dbraw/zinc/21/18/10/469211810.db2.gz GZJALYWFHNDIFK-GFCCVEGCSA-N 2 2 344.371 2.089 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589199533 469211817 /nfs/dbraw/zinc/21/18/17/469211817.db2.gz GZJALYWFHNDIFK-GFCCVEGCSA-N 2 2 344.371 2.089 20 5 EEBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749958485 577984785 /nfs/dbraw/zinc/98/47/85/577984785.db2.gz DPQYSCDLCXPETO-AWEZNQCLSA-N 2 2 346.435 2.269 20 5 EEBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749958485 577984786 /nfs/dbraw/zinc/98/47/86/577984786.db2.gz DPQYSCDLCXPETO-AWEZNQCLSA-N 2 2 346.435 2.269 20 5 EEBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749958485 577984787 /nfs/dbraw/zinc/98/47/87/577984787.db2.gz DPQYSCDLCXPETO-AWEZNQCLSA-N 2 2 346.435 2.269 20 5 EEBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749958485 577984788 /nfs/dbraw/zinc/98/47/88/577984788.db2.gz DPQYSCDLCXPETO-AWEZNQCLSA-N 2 2 346.435 2.269 20 5 EEBDLP CC(C)[C@H]([NH3+])c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000843154198 1315857037 /nfs/dbraw/zinc/85/70/37/1315857037.db2.gz YRSVMTRRFULXQL-ZDUSSCGKSA-N 2 2 328.332 2.486 20 5 EEBDLP [NH3+]C[C@]1(Nc2nc(Cl)c(Cl)cc2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160509870 1320179925 /nfs/dbraw/zinc/17/99/25/1320179925.db2.gz BWSUPJRMVXECGC-ZDUSSCGKSA-N 2 2 346.218 2.132 20 5 EEBDLP Cn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427102190 241376518 /nfs/dbraw/zinc/37/65/18/241376518.db2.gz FJBWWXPJZFPXPO-WMLDXEAASA-N 2 2 341.415 2.179 20 5 EEBDLP Cn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427102190 241376523 /nfs/dbraw/zinc/37/65/23/241376523.db2.gz FJBWWXPJZFPXPO-WMLDXEAASA-N 2 2 341.415 2.179 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422640508 314298387 /nfs/dbraw/zinc/29/83/87/314298387.db2.gz VQYWARDCKPRTEA-YUTCNCBUSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422640508 314298389 /nfs/dbraw/zinc/29/83/89/314298389.db2.gz VQYWARDCKPRTEA-YUTCNCBUSA-N 2 2 334.420 2.147 20 5 EEBDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000119006938 462867207 /nfs/dbraw/zinc/86/72/07/462867207.db2.gz TYAHWKRPRLSXPL-UHFFFAOYSA-N 2 2 331.420 2.292 20 5 EEBDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000119006938 462867212 /nfs/dbraw/zinc/86/72/12/462867212.db2.gz TYAHWKRPRLSXPL-UHFFFAOYSA-N 2 2 331.420 2.292 20 5 EEBDLP Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000192936250 465018216 /nfs/dbraw/zinc/01/82/16/465018216.db2.gz DYZMVKPDOLSJCG-UHFFFAOYSA-N 2 2 332.448 2.117 20 5 EEBDLP C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371303292 465701393 /nfs/dbraw/zinc/70/13/93/465701393.db2.gz NYXIGXYYRKUUAI-MAUKXSAKSA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371303292 465701399 /nfs/dbraw/zinc/70/13/99/465701399.db2.gz NYXIGXYYRKUUAI-MAUKXSAKSA-N 2 2 332.448 2.053 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000338696234 466317478 /nfs/dbraw/zinc/31/74/78/466317478.db2.gz YEXLWEIRUWAARD-CQSZACIVSA-N 2 2 348.447 2.208 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000338696234 466317481 /nfs/dbraw/zinc/31/74/81/466317481.db2.gz YEXLWEIRUWAARD-CQSZACIVSA-N 2 2 348.447 2.208 20 5 EEBDLP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000365406659 466809158 /nfs/dbraw/zinc/80/91/58/466809158.db2.gz XCPSUZLWEHCTFE-YOEHRIQHSA-N 2 2 346.431 2.116 20 5 EEBDLP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000365406659 466809160 /nfs/dbraw/zinc/80/91/60/466809160.db2.gz XCPSUZLWEHCTFE-YOEHRIQHSA-N 2 2 346.431 2.116 20 5 EEBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427877663 467183631 /nfs/dbraw/zinc/18/36/31/467183631.db2.gz TZSQHUCEBPJAGJ-JSGCOSHPSA-N 2 2 343.387 2.113 20 5 EEBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420375186 467384046 /nfs/dbraw/zinc/38/40/46/467384046.db2.gz SUJMVGISHFNRIP-ZDUSSCGKSA-N 2 2 340.811 2.164 20 5 EEBDLP CN(c1ccccc1)c1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415067964 467480895 /nfs/dbraw/zinc/48/08/95/467480895.db2.gz LVKMDKGXUDWMTN-INIZCTEOSA-N 2 2 344.415 2.114 20 5 EEBDLP CN(c1ccccc1)c1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415067964 467480899 /nfs/dbraw/zinc/48/08/99/467480899.db2.gz LVKMDKGXUDWMTN-INIZCTEOSA-N 2 2 344.415 2.114 20 5 EEBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585718799 469020614 /nfs/dbraw/zinc/02/06/14/469020614.db2.gz YXGOOIZBVYELEO-KRWDZBQOSA-N 2 2 333.432 2.324 20 5 EEBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585718799 469020621 /nfs/dbraw/zinc/02/06/21/469020621.db2.gz YXGOOIZBVYELEO-KRWDZBQOSA-N 2 2 333.432 2.324 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593728938 469111634 /nfs/dbraw/zinc/11/16/34/469111634.db2.gz AZEMOZKQRIZFMN-BBRMVZONSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593728938 469111641 /nfs/dbraw/zinc/11/16/41/469111641.db2.gz AZEMOZKQRIZFMN-BBRMVZONSA-N 2 2 334.420 2.291 20 5 EEBDLP C[C@H](CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000596427198 469262205 /nfs/dbraw/zinc/26/22/05/469262205.db2.gz BDYFZCIWARUADK-CQSZACIVSA-N 2 2 336.436 2.179 20 5 EEBDLP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000776590532 577463572 /nfs/dbraw/zinc/46/35/72/577463572.db2.gz HEFKPHSKALLHOK-XOKHGSTOSA-N 2 2 330.388 2.408 20 5 EEBDLP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000776590532 577463573 /nfs/dbraw/zinc/46/35/73/577463573.db2.gz HEFKPHSKALLHOK-XOKHGSTOSA-N 2 2 330.388 2.408 20 5 EEBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000247225098 675738096 /nfs/dbraw/zinc/73/80/96/675738096.db2.gz XXQMIUGUUDDDHX-GDBMZVCRSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000247225098 675738097 /nfs/dbraw/zinc/73/80/97/675738097.db2.gz XXQMIUGUUDDDHX-GDBMZVCRSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000247225098 675738099 /nfs/dbraw/zinc/73/80/99/675738099.db2.gz XXQMIUGUUDDDHX-GDBMZVCRSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000247225098 675738100 /nfs/dbraw/zinc/73/81/00/675738100.db2.gz XXQMIUGUUDDDHX-GDBMZVCRSA-N 2 2 329.404 2.318 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](CCCCO)CC3)c2c1 ZINC000865556388 1198274327 /nfs/dbraw/zinc/27/43/27/1198274327.db2.gz SFXPYKPEUCAPLB-UHFFFAOYSA-N 2 2 330.388 2.038 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902488920 1237702238 /nfs/dbraw/zinc/70/22/38/1237702238.db2.gz OKSROQCWILGMCP-HIFRSBDPSA-N 2 2 334.420 2.434 20 5 EEBDLP C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2Cl)CC[NH+](C)CC1 ZINC001156176690 1317907684 /nfs/dbraw/zinc/90/76/84/1317907684.db2.gz QBZUEXGNELXRBH-UHFFFAOYSA-N 2 2 327.816 2.081 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794841 204293069 /nfs/dbraw/zinc/29/30/69/204293069.db2.gz DWJVLFGBVRSNRS-UHFFFAOYSA-N 2 2 343.387 2.375 20 5 EEBDLP CCC[N@H+](CC)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174639303 207041334 /nfs/dbraw/zinc/04/13/34/207041334.db2.gz NKQKZEQSLRDKKO-UHFFFAOYSA-N 2 2 345.403 2.242 20 5 EEBDLP CCC[N@@H+](CC)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174639303 207041338 /nfs/dbraw/zinc/04/13/38/207041338.db2.gz NKQKZEQSLRDKKO-UHFFFAOYSA-N 2 2 345.403 2.242 20 5 EEBDLP Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000359098398 465375962 /nfs/dbraw/zinc/37/59/62/465375962.db2.gz SUWCAKZISOLINE-HNNXBMFYSA-N 2 2 347.463 2.211 20 5 EEBDLP Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000359098398 465375967 /nfs/dbraw/zinc/37/59/67/465375967.db2.gz SUWCAKZISOLINE-HNNXBMFYSA-N 2 2 347.463 2.211 20 5 EEBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000361261434 465869395 /nfs/dbraw/zinc/86/93/95/465869395.db2.gz DNCUFUKPYDSGLH-LRDDRELGSA-N 2 2 329.404 2.387 20 5 EEBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000361261434 465869401 /nfs/dbraw/zinc/86/94/01/465869401.db2.gz DNCUFUKPYDSGLH-LRDDRELGSA-N 2 2 329.404 2.387 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000361261434 465869407 /nfs/dbraw/zinc/86/94/07/465869407.db2.gz DNCUFUKPYDSGLH-LRDDRELGSA-N 2 2 329.404 2.387 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000361261434 465869412 /nfs/dbraw/zinc/86/94/12/465869412.db2.gz DNCUFUKPYDSGLH-LRDDRELGSA-N 2 2 329.404 2.387 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423205238 466696216 /nfs/dbraw/zinc/69/62/16/466696216.db2.gz DZNFVZOGRLLSDW-BBRMVZONSA-N 2 2 329.404 2.007 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423217687 466698393 /nfs/dbraw/zinc/69/83/93/466698393.db2.gz UIHDJZQKXNPBBG-CJNGLKHVSA-N 2 2 329.404 2.007 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430555199 467439755 /nfs/dbraw/zinc/43/97/55/467439755.db2.gz OJAFMBPUNAGRIM-RDBSUJKOSA-N 2 2 334.420 2.289 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430555199 467439756 /nfs/dbraw/zinc/43/97/56/467439756.db2.gz OJAFMBPUNAGRIM-RDBSUJKOSA-N 2 2 334.420 2.289 20 5 EEBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449062222 467616089 /nfs/dbraw/zinc/61/60/89/467616089.db2.gz YCIVQCLONJWNRP-DOTOQJQBSA-N 2 2 335.448 2.472 20 5 EEBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449062222 467616090 /nfs/dbraw/zinc/61/60/90/467616090.db2.gz YCIVQCLONJWNRP-DOTOQJQBSA-N 2 2 335.448 2.472 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449384969 467634804 /nfs/dbraw/zinc/63/48/04/467634804.db2.gz DARLMRLYHIZSKM-HAZIXKIPSA-N 2 2 333.432 2.435 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449384969 467634806 /nfs/dbraw/zinc/63/48/06/467634806.db2.gz DARLMRLYHIZSKM-HAZIXKIPSA-N 2 2 333.432 2.435 20 5 EEBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590375079 468242843 /nfs/dbraw/zinc/24/28/43/468242843.db2.gz QTOKSWDOCDGVSZ-GOSISDBHSA-N 2 2 347.415 2.284 20 5 EEBDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590375079 468242844 /nfs/dbraw/zinc/24/28/44/468242844.db2.gz QTOKSWDOCDGVSZ-GOSISDBHSA-N 2 2 347.415 2.284 20 5 EEBDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590375079 468242850 /nfs/dbraw/zinc/24/28/50/468242850.db2.gz QTOKSWDOCDGVSZ-GOSISDBHSA-N 2 2 347.415 2.284 20 5 EEBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590375079 468242854 /nfs/dbraw/zinc/24/28/54/468242854.db2.gz QTOKSWDOCDGVSZ-GOSISDBHSA-N 2 2 347.415 2.284 20 5 EEBDLP C[N@@H+]1CCN(CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000601160791 468765056 /nfs/dbraw/zinc/76/50/56/468765056.db2.gz ZQQZEMYTUMBTLA-UHFFFAOYSA-N 2 2 343.431 2.003 20 5 EEBDLP C[N@H+]1CCN(CCNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1(C)C ZINC000601160791 468765061 /nfs/dbraw/zinc/76/50/61/468765061.db2.gz ZQQZEMYTUMBTLA-UHFFFAOYSA-N 2 2 343.431 2.003 20 5 EEBDLP C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593734047 469115898 /nfs/dbraw/zinc/11/58/98/469115898.db2.gz SBMFPFJUWLFYMW-XJKSGUPXSA-N 2 2 334.420 2.007 20 5 EEBDLP C[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593734047 469115906 /nfs/dbraw/zinc/11/59/06/469115906.db2.gz SBMFPFJUWLFYMW-XJKSGUPXSA-N 2 2 334.420 2.007 20 5 EEBDLP C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000611257194 469211175 /nfs/dbraw/zinc/21/11/75/469211175.db2.gz BQMPMPAKQBHBAI-ZDUSSCGKSA-N 2 2 335.404 2.140 20 5 EEBDLP C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000611257194 469211180 /nfs/dbraw/zinc/21/11/80/469211180.db2.gz BQMPMPAKQBHBAI-ZDUSSCGKSA-N 2 2 335.404 2.140 20 5 EEBDLP C[NH+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000611257194 469211183 /nfs/dbraw/zinc/21/11/83/469211183.db2.gz BQMPMPAKQBHBAI-ZDUSSCGKSA-N 2 2 335.404 2.140 20 5 EEBDLP C[NH+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000611257194 469211188 /nfs/dbraw/zinc/21/11/88/469211188.db2.gz BQMPMPAKQBHBAI-ZDUSSCGKSA-N 2 2 335.404 2.140 20 5 EEBDLP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000603433996 469394930 /nfs/dbraw/zinc/39/49/30/469394930.db2.gz OGQKPFLULYEQPU-QWHCGFSZSA-N 2 2 345.346 2.420 20 5 EEBDLP COc1cc[nH+]c(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000264188398 537116757 /nfs/dbraw/zinc/11/67/57/537116757.db2.gz MBIFIKUOYDXMKB-UHFFFAOYSA-N 2 2 342.399 2.363 20 5 EEBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000765782384 577507025 /nfs/dbraw/zinc/50/70/25/577507025.db2.gz VYNBKQXFOMZGFV-OAHLLOKOSA-N 2 2 330.432 2.390 20 5 EEBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000765782384 577507026 /nfs/dbraw/zinc/50/70/26/577507026.db2.gz VYNBKQXFOMZGFV-OAHLLOKOSA-N 2 2 330.432 2.390 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028585 577589188 /nfs/dbraw/zinc/58/91/88/577589188.db2.gz GOUOSTQFJKPMLP-HOCLYGCPSA-N 2 2 330.388 2.241 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028585 577589189 /nfs/dbraw/zinc/58/91/89/577589189.db2.gz GOUOSTQFJKPMLP-HOCLYGCPSA-N 2 2 330.388 2.241 20 5 EEBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842476176 1315712380 /nfs/dbraw/zinc/71/23/80/1315712380.db2.gz IMZPKPOOKITHAW-CYBMUJFWSA-N 2 2 340.811 2.164 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427137092 241380954 /nfs/dbraw/zinc/38/09/54/241380954.db2.gz QXVQLFNXPQNTRN-GWCFXTLKSA-N 2 2 327.331 2.380 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427137092 241380957 /nfs/dbraw/zinc/38/09/57/241380957.db2.gz QXVQLFNXPQNTRN-GWCFXTLKSA-N 2 2 327.331 2.380 20 5 EEBDLP C[C@@H](CC[NH+](C)C)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801957 242317272 /nfs/dbraw/zinc/31/72/72/242317272.db2.gz GCZCRSRTABXADZ-AWEZNQCLSA-N 2 2 336.436 2.179 20 5 EEBDLP C[C@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000447813711 242320418 /nfs/dbraw/zinc/32/04/18/242320418.db2.gz XELNHXFREZRNCO-HOCLYGCPSA-N 2 2 348.447 2.322 20 5 EEBDLP C[C@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000447813711 242320422 /nfs/dbraw/zinc/32/04/22/242320422.db2.gz XELNHXFREZRNCO-HOCLYGCPSA-N 2 2 348.447 2.322 20 5 EEBDLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000246954917 160302239 /nfs/dbraw/zinc/30/22/39/160302239.db2.gz CEWMGCHOJRQECM-XJKSGUPXSA-N 2 2 343.387 2.313 20 5 EEBDLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000246954917 160302240 /nfs/dbraw/zinc/30/22/40/160302240.db2.gz CEWMGCHOJRQECM-XJKSGUPXSA-N 2 2 343.387 2.313 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000352617759 162213383 /nfs/dbraw/zinc/21/33/83/162213383.db2.gz IOTCTNOUXXWJNP-XOKHGSTOSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000352617759 162213385 /nfs/dbraw/zinc/21/33/85/162213385.db2.gz IOTCTNOUXXWJNP-XOKHGSTOSA-N 2 2 337.395 2.417 20 5 EEBDLP [NH3+]C1(c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)CCC1 ZINC000261807625 274100327 /nfs/dbraw/zinc/10/03/27/274100327.db2.gz HMLVPFXQUUYQQP-UHFFFAOYSA-N 2 2 326.316 2.168 20 5 EEBDLP C[NH+]1CCC([NH+]2CCC(Nc3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000195511924 464061915 /nfs/dbraw/zinc/06/19/15/464061915.db2.gz RMMOXCCTUWCTNY-UHFFFAOYSA-N 2 2 325.438 2.022 20 5 EEBDLP COC[C@](C)([NH3+])CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270219133 464223108 /nfs/dbraw/zinc/22/31/08/464223108.db2.gz MRDTVNORKKNPPD-MRXNPFEDSA-N 2 2 331.376 2.136 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281251998 464386729 /nfs/dbraw/zinc/38/67/29/464386729.db2.gz GWZUKFDAZTVROU-AWEZNQCLSA-N 2 2 334.420 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281251998 464386733 /nfs/dbraw/zinc/38/67/33/464386733.db2.gz GWZUKFDAZTVROU-AWEZNQCLSA-N 2 2 334.420 2.340 20 5 EEBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344547051 465662011 /nfs/dbraw/zinc/66/20/11/465662011.db2.gz ZOCRUNNHYCSMQB-LJQANCHMSA-N 2 2 341.411 2.321 20 5 EEBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344547051 465662024 /nfs/dbraw/zinc/66/20/24/465662024.db2.gz ZOCRUNNHYCSMQB-LJQANCHMSA-N 2 2 341.411 2.321 20 5 EEBDLP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000601147439 468761535 /nfs/dbraw/zinc/76/15/35/468761535.db2.gz NIKOIDLFCDMLDD-STQMWFEESA-N 2 2 330.388 2.034 20 5 EEBDLP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000601147439 468761538 /nfs/dbraw/zinc/76/15/38/468761538.db2.gz NIKOIDLFCDMLDD-STQMWFEESA-N 2 2 330.388 2.034 20 5 EEBDLP [NH3+]Cc1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(F)c1 ZINC000593319328 468937516 /nfs/dbraw/zinc/93/75/16/468937516.db2.gz VFXYPYOYOWBVIA-UHFFFAOYSA-N 2 2 347.346 2.254 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258437 469907301 /nfs/dbraw/zinc/90/73/01/469907301.db2.gz VUCZFEGAKSWCMW-HNNXBMFYSA-N 2 2 343.387 2.375 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258437 469907304 /nfs/dbraw/zinc/90/73/04/469907304.db2.gz VUCZFEGAKSWCMW-HNNXBMFYSA-N 2 2 343.387 2.375 20 5 EEBDLP O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018709 803587305 /nfs/dbraw/zinc/58/73/05/803587305.db2.gz CDFKFSYNUWBQFN-RDGPPVDQSA-N 2 2 344.459 2.281 20 5 EEBDLP O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018709 803587308 /nfs/dbraw/zinc/58/73/08/803587308.db2.gz CDFKFSYNUWBQFN-RDGPPVDQSA-N 2 2 344.459 2.281 20 5 EEBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018709 803587311 /nfs/dbraw/zinc/58/73/11/803587311.db2.gz CDFKFSYNUWBQFN-RDGPPVDQSA-N 2 2 344.459 2.281 20 5 EEBDLP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018709 803587314 /nfs/dbraw/zinc/58/73/14/803587314.db2.gz CDFKFSYNUWBQFN-RDGPPVDQSA-N 2 2 344.459 2.281 20 5 EEBDLP CCOc1cc(N2CC[NH+](CCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000280264839 269344823 /nfs/dbraw/zinc/34/48/23/269344823.db2.gz QDENSANVZRMXIG-UHFFFAOYSA-N 2 2 345.403 2.012 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423217689 303004174 /nfs/dbraw/zinc/00/41/74/303004174.db2.gz UIHDJZQKXNPBBG-XJKSGUPXSA-N 2 2 329.404 2.007 20 5 EEBDLP COc1cc(C[NH2+]C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414783244 313088262 /nfs/dbraw/zinc/08/82/62/313088262.db2.gz QHKJGAPOVODJKH-UHFFFAOYSA-N 2 2 345.346 2.089 20 5 EEBDLP CC[NH2+]CCCNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567223308 319360538 /nfs/dbraw/zinc/36/05/38/319360538.db2.gz NEYYJGFBKPHPHU-UHFFFAOYSA-N 2 2 329.404 2.448 20 5 EEBDLP Cn1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591275571 468435413 /nfs/dbraw/zinc/43/54/13/468435413.db2.gz FBUCXJMQEYGCDY-HNNXBMFYSA-N 2 2 329.404 2.227 20 5 EEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000368445416 466638100 /nfs/dbraw/zinc/63/81/00/466638100.db2.gz KTSBDGCICDPZQZ-LBPRGKRZSA-N 2 2 339.827 2.224 20 5 EEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000368445416 466638102 /nfs/dbraw/zinc/63/81/02/466638102.db2.gz KTSBDGCICDPZQZ-LBPRGKRZSA-N 2 2 339.827 2.224 20 5 EEBDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595097187 468757865 /nfs/dbraw/zinc/75/78/65/468757865.db2.gz RUCFNYYDKIESBW-UKRRQHHQSA-N 2 2 334.420 2.386 20 5 EEBDLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595097187 468757871 /nfs/dbraw/zinc/75/78/71/468757871.db2.gz RUCFNYYDKIESBW-UKRRQHHQSA-N 2 2 334.420 2.386 20 5 EEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595102742 468758976 /nfs/dbraw/zinc/75/89/76/468758976.db2.gz LNYXJLKEYHSHMY-YOEHRIQHSA-N 2 2 331.416 2.425 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593733955 469115047 /nfs/dbraw/zinc/11/50/47/469115047.db2.gz OYRCSIYVKWYECI-WBMJQRKESA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593733955 469115054 /nfs/dbraw/zinc/11/50/54/469115054.db2.gz OYRCSIYVKWYECI-WBMJQRKESA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cc(N[C@H]2CC[NH2+][C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601980499 469126306 /nfs/dbraw/zinc/12/63/06/469126306.db2.gz LTVDTEIHEPZSSG-RISCZKNCSA-N 2 2 327.388 2.335 20 5 EEBDLP Cc1nn(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105880 577495079 /nfs/dbraw/zinc/49/50/79/577495079.db2.gz LSHRQSFKHGXEPI-CJNGLKHVSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105880 577495080 /nfs/dbraw/zinc/49/50/80/577495080.db2.gz LSHRQSFKHGXEPI-CJNGLKHVSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105880 577495081 /nfs/dbraw/zinc/49/50/81/577495081.db2.gz LSHRQSFKHGXEPI-CJNGLKHVSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105880 577495082 /nfs/dbraw/zinc/49/50/82/577495082.db2.gz LSHRQSFKHGXEPI-CJNGLKHVSA-N 2 2 344.419 2.022 20 5 EEBDLP C[NH+]1CCN(C(=[NH2+])Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1 ZINC001157915171 1318927978 /nfs/dbraw/zinc/92/79/78/1318927978.db2.gz SRXOSEUZUNVBPM-UHFFFAOYSA-N 2 2 348.794 2.390 20 5 EEBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001168996053 803562597 /nfs/dbraw/zinc/56/25/97/803562597.db2.gz UNWOHRDCESHZHR-WBVHZDCISA-N 2 2 333.432 2.392 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247328146 160320313 /nfs/dbraw/zinc/32/03/13/160320313.db2.gz WSHKYJMGWAPUTH-IJEWVQPXSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247328146 160320314 /nfs/dbraw/zinc/32/03/14/160320314.db2.gz WSHKYJMGWAPUTH-IJEWVQPXSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247328146 160320315 /nfs/dbraw/zinc/32/03/15/160320315.db2.gz WSHKYJMGWAPUTH-IJEWVQPXSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247328146 160320316 /nfs/dbraw/zinc/32/03/16/160320316.db2.gz WSHKYJMGWAPUTH-IJEWVQPXSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000346327846 161363602 /nfs/dbraw/zinc/36/36/02/161363602.db2.gz IRNOIJYWMPOLFB-DVOMOZLQSA-N 2 2 334.420 2.384 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000346327846 161363603 /nfs/dbraw/zinc/36/36/03/161363603.db2.gz IRNOIJYWMPOLFB-DVOMOZLQSA-N 2 2 334.420 2.384 20 5 EEBDLP Cc1c[nH+]ccc1OC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000289478383 275119630 /nfs/dbraw/zinc/11/96/30/275119630.db2.gz XSHQFPHGCQWKOE-UHFFFAOYSA-N 2 2 331.376 2.038 20 5 EEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000072637091 463528583 /nfs/dbraw/zinc/52/85/83/463528583.db2.gz ZWJADRJWEGKQBB-CVEARBPZSA-N 2 2 332.448 2.368 20 5 EEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000072637091 463528588 /nfs/dbraw/zinc/52/85/88/463528588.db2.gz ZWJADRJWEGKQBB-CVEARBPZSA-N 2 2 332.448 2.368 20 5 EEBDLP C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCC[NH+](C)C1 ZINC000152359430 463680645 /nfs/dbraw/zinc/68/06/45/463680645.db2.gz PBNCVAFNHPFSKC-CYBMUJFWSA-N 2 2 335.404 2.235 20 5 EEBDLP C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCC[NH+](C)C1 ZINC000152359430 463680647 /nfs/dbraw/zinc/68/06/47/463680647.db2.gz PBNCVAFNHPFSKC-CYBMUJFWSA-N 2 2 335.404 2.235 20 5 EEBDLP C[NH+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCC[N@H+](C)C1 ZINC000152359430 463680649 /nfs/dbraw/zinc/68/06/49/463680649.db2.gz PBNCVAFNHPFSKC-CYBMUJFWSA-N 2 2 335.404 2.235 20 5 EEBDLP C[NH+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152359430 463680651 /nfs/dbraw/zinc/68/06/51/463680651.db2.gz PBNCVAFNHPFSKC-CYBMUJFWSA-N 2 2 335.404 2.235 20 5 EEBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000361261433 465869776 /nfs/dbraw/zinc/86/97/76/465869776.db2.gz DNCUFUKPYDSGLH-BLLLJJGKSA-N 2 2 329.404 2.387 20 5 EEBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000361261433 465869781 /nfs/dbraw/zinc/86/97/81/465869781.db2.gz DNCUFUKPYDSGLH-BLLLJJGKSA-N 2 2 329.404 2.387 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000361261433 465869785 /nfs/dbraw/zinc/86/97/85/465869785.db2.gz DNCUFUKPYDSGLH-BLLLJJGKSA-N 2 2 329.404 2.387 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000361261433 465869792 /nfs/dbraw/zinc/86/97/92/465869792.db2.gz DNCUFUKPYDSGLH-BLLLJJGKSA-N 2 2 329.404 2.387 20 5 EEBDLP Cc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000378354982 467276684 /nfs/dbraw/zinc/27/66/84/467276684.db2.gz MGDAFDJCFAVDEP-QGZVFWFLSA-N 2 2 332.448 2.115 20 5 EEBDLP Cc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000378354982 467276686 /nfs/dbraw/zinc/27/66/86/467276686.db2.gz MGDAFDJCFAVDEP-QGZVFWFLSA-N 2 2 332.448 2.115 20 5 EEBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420370972 467382020 /nfs/dbraw/zinc/38/20/20/467382020.db2.gz WKXRXJPQHYHZSP-GFCCVEGCSA-N 2 2 328.800 2.150 20 5 EEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430580027 467445771 /nfs/dbraw/zinc/44/57/71/467445771.db2.gz DCXHDOGJPVBBCX-HZPDHXFCSA-N 2 2 334.420 2.005 20 5 EEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430580027 467445773 /nfs/dbraw/zinc/44/57/73/467445773.db2.gz DCXHDOGJPVBBCX-HZPDHXFCSA-N 2 2 334.420 2.005 20 5 EEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430591361 467447894 /nfs/dbraw/zinc/44/78/94/467447894.db2.gz AQZVZUQVBAYDOD-LBPRGKRZSA-N 2 2 342.827 2.492 20 5 EEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430591361 467447897 /nfs/dbraw/zinc/44/78/97/467447897.db2.gz AQZVZUQVBAYDOD-LBPRGKRZSA-N 2 2 342.827 2.492 20 5 EEBDLP Cc1c(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000582968477 468624683 /nfs/dbraw/zinc/62/46/83/468624683.db2.gz RUXHAQXVHIAECT-UHFFFAOYSA-N 2 2 333.432 2.230 20 5 EEBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@H]21 ZINC000611286353 469220006 /nfs/dbraw/zinc/22/00/06/469220006.db2.gz QTKHDGSPAZUAGM-UKRRQHHQSA-N 2 2 347.415 2.282 20 5 EEBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@H]21 ZINC000611286353 469220010 /nfs/dbraw/zinc/22/00/10/469220010.db2.gz QTKHDGSPAZUAGM-UKRRQHHQSA-N 2 2 347.415 2.282 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@H]21 ZINC000611286353 469220013 /nfs/dbraw/zinc/22/00/13/469220013.db2.gz QTKHDGSPAZUAGM-UKRRQHHQSA-N 2 2 347.415 2.282 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@H]21 ZINC000611286353 469220018 /nfs/dbraw/zinc/22/00/18/469220018.db2.gz QTKHDGSPAZUAGM-UKRRQHHQSA-N 2 2 347.415 2.282 20 5 EEBDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602506611 469342366 /nfs/dbraw/zinc/34/23/66/469342366.db2.gz DVUDLYOGEFCWJV-HNNXBMFYSA-N 2 2 333.436 2.033 20 5 EEBDLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602506611 469342371 /nfs/dbraw/zinc/34/23/71/469342371.db2.gz DVUDLYOGEFCWJV-HNNXBMFYSA-N 2 2 333.436 2.033 20 5 EEBDLP O=C(CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609258024 469907215 /nfs/dbraw/zinc/90/72/15/469907215.db2.gz IQOAZDSIUCTBOD-MRXNPFEDSA-N 2 2 343.387 2.457 20 5 EEBDLP O=C(CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609258024 469907217 /nfs/dbraw/zinc/90/72/17/469907217.db2.gz IQOAZDSIUCTBOD-MRXNPFEDSA-N 2 2 343.387 2.457 20 5 EEBDLP O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000738160556 578001922 /nfs/dbraw/zinc/00/19/22/578001922.db2.gz XPDDXMLHZHHELF-HNNXBMFYSA-N 2 2 326.360 2.436 20 5 EEBDLP O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000738160556 578001923 /nfs/dbraw/zinc/00/19/23/578001923.db2.gz XPDDXMLHZHHELF-HNNXBMFYSA-N 2 2 326.360 2.436 20 5 EEBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000872062217 1198038089 /nfs/dbraw/zinc/03/80/89/1198038089.db2.gz LCLUSRSLIJJIFY-XHDPSFHLSA-N 2 2 325.434 2.034 20 5 EEBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000872062217 1198038099 /nfs/dbraw/zinc/03/80/99/1198038099.db2.gz LCLUSRSLIJJIFY-XHDPSFHLSA-N 2 2 325.434 2.034 20 5 EEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001337291676 1336677502 /nfs/dbraw/zinc/67/75/02/1336677502.db2.gz YPERXFIHRQWULP-WMLDXEAASA-N 2 2 344.415 2.316 20 5 EEBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001337291676 1336677505 /nfs/dbraw/zinc/67/75/05/1336677505.db2.gz YPERXFIHRQWULP-WMLDXEAASA-N 2 2 344.415 2.316 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(C)([NH3+])CC2)c1F ZINC001173185369 797280201 /nfs/dbraw/zinc/28/02/01/797280201.db2.gz YSPHNBMVQQSWSO-NSHDSACASA-N 2 2 325.384 2.487 20 5 EEBDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271841893 274157995 /nfs/dbraw/zinc/15/79/95/274157995.db2.gz TXSZQMCBMLRTRI-UHFFFAOYSA-N 2 2 335.404 2.102 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422636669 281261233 /nfs/dbraw/zinc/26/12/33/281261233.db2.gz NJSYPBYNYQYXJA-MJBXVCDLSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422636669 281261234 /nfs/dbraw/zinc/26/12/34/281261234.db2.gz NJSYPBYNYQYXJA-MJBXVCDLSA-N 2 2 334.420 2.147 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423348737 294427268 /nfs/dbraw/zinc/42/72/68/294427268.db2.gz UPAILUASNYGAGL-AEFFLSMTSA-N 2 2 343.431 2.397 20 5 EEBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C[NH3+] ZINC000422638726 314297666 /nfs/dbraw/zinc/29/76/66/314297666.db2.gz RGKCMADODZUYBY-BZPMIXESSA-N 2 2 345.403 2.450 20 5 EEBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C[NH3+] ZINC000422638726 314297669 /nfs/dbraw/zinc/29/76/69/314297669.db2.gz RGKCMADODZUYBY-BZPMIXESSA-N 2 2 345.403 2.450 20 5 EEBDLP CC(C)[NH2+]CCCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000518959642 316753992 /nfs/dbraw/zinc/75/39/92/316753992.db2.gz CPVCVOIFTJPNKG-MRXNPFEDSA-N 2 2 331.420 2.395 20 5 EEBDLP COc1ccc(OCC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c([N+](=O)[O-])c1 ZINC000564096343 319067279 /nfs/dbraw/zinc/06/72/79/319067279.db2.gz JPFXVMWCRXBJMS-UONOGXRCSA-N 2 2 335.404 2.151 20 5 EEBDLP COc1ccc(OCC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c([N+](=O)[O-])c1 ZINC000564096343 319067281 /nfs/dbraw/zinc/06/72/81/319067281.db2.gz JPFXVMWCRXBJMS-UONOGXRCSA-N 2 2 335.404 2.151 20 5 EEBDLP COc1ccc(OCC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000564096343 319067284 /nfs/dbraw/zinc/06/72/84/319067284.db2.gz JPFXVMWCRXBJMS-UONOGXRCSA-N 2 2 335.404 2.151 20 5 EEBDLP COc1ccc(OCC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000564096343 319067286 /nfs/dbraw/zinc/06/72/86/319067286.db2.gz JPFXVMWCRXBJMS-UONOGXRCSA-N 2 2 335.404 2.151 20 5 EEBDLP Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000535748233 468325023 /nfs/dbraw/zinc/32/50/23/468325023.db2.gz XXFXKNHRLUINAJ-UHFFFAOYSA-N 2 2 337.339 2.467 20 5 EEBDLP CC(C)N(CC[NH+](C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000151762665 463587238 /nfs/dbraw/zinc/58/72/38/463587238.db2.gz SOSWNYDJFHFILW-UHFFFAOYSA-N 2 2 345.403 2.193 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000347313703 466557794 /nfs/dbraw/zinc/55/77/94/466557794.db2.gz IVQFMUYUIWEURN-NTCAYCPXSA-N 2 2 333.432 2.387 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000347313703 466557803 /nfs/dbraw/zinc/55/78/03/466557803.db2.gz IVQFMUYUIWEURN-NTCAYCPXSA-N 2 2 333.432 2.387 20 5 EEBDLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000365406656 466809463 /nfs/dbraw/zinc/80/94/63/466809463.db2.gz XCPSUZLWEHCTFE-PBHICJAKSA-N 2 2 346.431 2.116 20 5 EEBDLP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000365406656 466809467 /nfs/dbraw/zinc/80/94/67/466809467.db2.gz XCPSUZLWEHCTFE-PBHICJAKSA-N 2 2 346.431 2.116 20 5 EEBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430574994 467444563 /nfs/dbraw/zinc/44/45/63/467444563.db2.gz UIOYGDCLKOZNDD-AAEUAGOBSA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430574994 467444570 /nfs/dbraw/zinc/44/45/70/467444570.db2.gz UIOYGDCLKOZNDD-AAEUAGOBSA-N 2 2 331.376 2.204 20 5 EEBDLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435370248 467462959 /nfs/dbraw/zinc/46/29/59/467462959.db2.gz IFGJZFDBSDIFFP-NXEZZACHSA-N 2 2 345.346 2.374 20 5 EEBDLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435370248 467462962 /nfs/dbraw/zinc/46/29/62/467462962.db2.gz IFGJZFDBSDIFFP-NXEZZACHSA-N 2 2 345.346 2.374 20 5 EEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000618567969 469391947 /nfs/dbraw/zinc/39/19/47/469391947.db2.gz ARAIZDRZJMVHNF-HRCADAONSA-N 2 2 333.436 2.349 20 5 EEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000618567969 469391950 /nfs/dbraw/zinc/39/19/50/469391950.db2.gz ARAIZDRZJMVHNF-HRCADAONSA-N 2 2 333.436 2.349 20 5 EEBDLP O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000738160560 576682062 /nfs/dbraw/zinc/68/20/62/576682062.db2.gz XPDDXMLHZHHELF-OAHLLOKOSA-N 2 2 326.360 2.436 20 5 EEBDLP O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000738160560 576682063 /nfs/dbraw/zinc/68/20/63/576682063.db2.gz XPDDXMLHZHHELF-OAHLLOKOSA-N 2 2 326.360 2.436 20 5 EEBDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000902435809 1237595844 /nfs/dbraw/zinc/59/58/44/1237595844.db2.gz VDKKPARJHBICMO-XLMAVXFVSA-N 2 2 341.415 2.489 20 5 EEBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001119517541 1309096048 /nfs/dbraw/zinc/09/60/48/1309096048.db2.gz XBJQPYZLNKKTTJ-UHFFFAOYSA-N 2 2 333.432 2.370 20 5 EEBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842476387 1315712249 /nfs/dbraw/zinc/71/22/49/1315712249.db2.gz NGOAUSMFKQXHPW-CYBMUJFWSA-N 2 2 340.811 2.164 20 5 EEBDLP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC001155375703 1317570791 /nfs/dbraw/zinc/57/07/91/1317570791.db2.gz HMOWPMSIWBCJNI-OAHLLOKOSA-N 2 2 341.415 2.002 20 5 EEBDLP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001256604432 1318798507 /nfs/dbraw/zinc/79/85/07/1318798507.db2.gz QTDNVTDELYKVSX-UHFFFAOYSA-N 2 2 332.448 2.327 20 5 EEBDLP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001256604432 1318798524 /nfs/dbraw/zinc/79/85/24/1318798524.db2.gz QTDNVTDELYKVSX-UHFFFAOYSA-N 2 2 332.448 2.327 20 5 EEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001337291672 1336677554 /nfs/dbraw/zinc/67/75/54/1336677554.db2.gz YPERXFIHRQWULP-RHSMWYFYSA-N 2 2 344.415 2.316 20 5 EEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001337291672 1336677559 /nfs/dbraw/zinc/67/75/59/1336677559.db2.gz YPERXFIHRQWULP-RHSMWYFYSA-N 2 2 344.415 2.316 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC[NH+]2CCCC2)c1F ZINC001173175496 797276622 /nfs/dbraw/zinc/27/66/22/797276622.db2.gz OJKSFLISGCDOKC-LBPRGKRZSA-N 2 2 325.384 2.359 20 5 EEBDLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Br)cc1 ZINC001168977423 803543709 /nfs/dbraw/zinc/54/37/09/803543709.db2.gz JRFCJXHEEGKSIL-GDLCADMTSA-N 2 2 342.237 2.484 20 5 EEBDLP COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001170354194 809902903 /nfs/dbraw/zinc/90/29/03/809902903.db2.gz IHMAUDDSMZVTBR-JCKWVBRZSA-N 2 2 333.432 2.418 20 5 EEBDLP COc1ccc(C[C@H](C)[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001170354194 809902907 /nfs/dbraw/zinc/90/29/07/809902907.db2.gz IHMAUDDSMZVTBR-JCKWVBRZSA-N 2 2 333.432 2.418 20 5 EEBDLP COc1ccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c([N+](=O)[O-])c1 ZINC000293042000 293110004 /nfs/dbraw/zinc/11/00/04/293110004.db2.gz SMDPDGXLFLGPCU-GOSISDBHSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c([N+](=O)[O-])c1 ZINC000293042000 293110007 /nfs/dbraw/zinc/11/00/07/293110007.db2.gz SMDPDGXLFLGPCU-GOSISDBHSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000293042000 293110009 /nfs/dbraw/zinc/11/00/09/293110009.db2.gz SMDPDGXLFLGPCU-GOSISDBHSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000293042000 293110013 /nfs/dbraw/zinc/11/00/13/293110013.db2.gz SMDPDGXLFLGPCU-GOSISDBHSA-N 2 2 349.431 2.400 20 5 EEBDLP Cc1cc(N[C@@H](C)C[NH+]2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083861 463317363 /nfs/dbraw/zinc/31/73/63/463317363.db2.gz JUUDBSKBWAIWIP-AWEZNQCLSA-N 2 2 343.431 2.499 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140000181 463334891 /nfs/dbraw/zinc/33/48/91/463334891.db2.gz MTFYVIBNGJBYCB-CKEIUWERSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140000181 463334897 /nfs/dbraw/zinc/33/48/97/463334897.db2.gz MTFYVIBNGJBYCB-CKEIUWERSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140000181 463334902 /nfs/dbraw/zinc/33/49/02/463334902.db2.gz MTFYVIBNGJBYCB-CKEIUWERSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000140000181 463334906 /nfs/dbraw/zinc/33/49/06/463334906.db2.gz MTFYVIBNGJBYCB-CKEIUWERSA-N 2 2 346.431 2.338 20 5 EEBDLP C[NH2+][C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261762295 463851297 /nfs/dbraw/zinc/85/12/97/463851297.db2.gz NCAJJMWJCLWFIG-CQSZACIVSA-N 2 2 330.388 2.476 20 5 EEBDLP C[NH2+][C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261762295 463851301 /nfs/dbraw/zinc/85/13/01/463851301.db2.gz NCAJJMWJCLWFIG-CQSZACIVSA-N 2 2 330.388 2.476 20 5 EEBDLP CC(C)[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353495560 465930642 /nfs/dbraw/zinc/93/06/42/465930642.db2.gz IPKQGFLLGDHRJR-MRXNPFEDSA-N 2 2 331.420 2.348 20 5 EEBDLP CC(C)[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353495560 465930649 /nfs/dbraw/zinc/93/06/49/465930649.db2.gz IPKQGFLLGDHRJR-MRXNPFEDSA-N 2 2 331.420 2.348 20 5 EEBDLP Cn1cc[nH+]c1[C@H](N[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591578258 468486117 /nfs/dbraw/zinc/48/61/17/468486117.db2.gz HVOUMQJVLWXTRC-GDBMZVCRSA-N 2 2 329.404 2.149 20 5 EEBDLP CC(C)N(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450199133 467797612 /nfs/dbraw/zinc/79/76/12/467797612.db2.gz UEPADZIFADHCDV-UHFFFAOYSA-N 2 2 345.403 2.193 20 5 EEBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000600733603 468641919 /nfs/dbraw/zinc/64/19/19/468641919.db2.gz KWHLWQFKJJVINS-AWEZNQCLSA-N 2 2 347.337 2.160 20 5 EEBDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601165393 468767050 /nfs/dbraw/zinc/76/70/50/468767050.db2.gz NTFCOSPSOZYRQK-HIFRSBDPSA-N 2 2 342.399 2.442 20 5 EEBDLP CC[NH+](CC)CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000912577924 788246411 /nfs/dbraw/zinc/24/64/11/788246411.db2.gz OSQZGYHVAORGKN-UHFFFAOYSA-N 2 2 332.360 2.279 20 5 EEBDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000277308290 269147742 /nfs/dbraw/zinc/14/77/42/269147742.db2.gz UMTMEHOJEOVNSI-OAHLLOKOSA-N 2 2 335.404 2.377 20 5 EEBDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000277308290 269147743 /nfs/dbraw/zinc/14/77/43/269147743.db2.gz UMTMEHOJEOVNSI-OAHLLOKOSA-N 2 2 335.404 2.377 20 5 EEBDLP Cc1c[nH+]ccc1OC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000289351060 275110906 /nfs/dbraw/zinc/11/09/06/275110906.db2.gz HHINNAXQVXGSFI-UHFFFAOYSA-N 2 2 331.376 2.038 20 5 EEBDLP CC(C)(CCC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000293636289 293257656 /nfs/dbraw/zinc/25/76/56/293257656.db2.gz JCHLHKKDMPAKGR-UHFFFAOYSA-N 2 2 331.376 2.028 20 5 EEBDLP C[N@@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000577633612 320267562 /nfs/dbraw/zinc/26/75/62/320267562.db2.gz QXWMMHPKUQBUET-CYBMUJFWSA-N 2 2 346.456 2.398 20 5 EEBDLP C[N@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C[NH3+])C1 ZINC000577633612 320267564 /nfs/dbraw/zinc/26/75/64/320267564.db2.gz QXWMMHPKUQBUET-CYBMUJFWSA-N 2 2 346.456 2.398 20 5 EEBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069802591 463327129 /nfs/dbraw/zinc/32/71/29/463327129.db2.gz VIEJPWCUKMRJFT-MRXNPFEDSA-N 2 2 349.431 2.018 20 5 EEBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069802591 463327133 /nfs/dbraw/zinc/32/71/33/463327133.db2.gz VIEJPWCUKMRJFT-MRXNPFEDSA-N 2 2 349.431 2.018 20 5 EEBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278957844 464015652 /nfs/dbraw/zinc/01/56/52/464015652.db2.gz BBSIMBKZIXSFIV-YOEHRIQHSA-N 2 2 332.448 2.153 20 5 EEBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278957844 464015660 /nfs/dbraw/zinc/01/56/60/464015660.db2.gz BBSIMBKZIXSFIV-YOEHRIQHSA-N 2 2 332.448 2.153 20 5 EEBDLP C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C[NH3+] ZINC000420415742 467400958 /nfs/dbraw/zinc/40/09/58/467400958.db2.gz VDXJGUJPNRZMJR-YPMHNXCESA-N 2 2 331.376 2.062 20 5 EEBDLP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C[NH3+] ZINC000420415742 467400959 /nfs/dbraw/zinc/40/09/59/467400959.db2.gz VDXJGUJPNRZMJR-YPMHNXCESA-N 2 2 331.376 2.062 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534581010 468265639 /nfs/dbraw/zinc/26/56/39/468265639.db2.gz ZWLBAKCGLAAVHN-CHWSQXEVSA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534581010 468265644 /nfs/dbraw/zinc/26/56/44/468265644.db2.gz ZWLBAKCGLAAVHN-CHWSQXEVSA-N 2 2 343.387 2.145 20 5 EEBDLP [NH3+]C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600726525 468637247 /nfs/dbraw/zinc/63/72/47/468637247.db2.gz LTEKHGGTZTUORR-FZMZJTMJSA-N 2 2 347.337 2.433 20 5 EEBDLP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600726525 468637250 /nfs/dbraw/zinc/63/72/50/468637250.db2.gz LTEKHGGTZTUORR-FZMZJTMJSA-N 2 2 347.337 2.433 20 5 EEBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595094093 468756816 /nfs/dbraw/zinc/75/68/16/468756816.db2.gz CHYSKKVVHKJWEC-ZFWWWQNUSA-N 2 2 334.420 2.386 20 5 EEBDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595094093 468756821 /nfs/dbraw/zinc/75/68/21/468756821.db2.gz CHYSKKVVHKJWEC-ZFWWWQNUSA-N 2 2 334.420 2.386 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593733952 469115189 /nfs/dbraw/zinc/11/51/89/469115189.db2.gz OYRCSIYVKWYECI-LRDDRELGSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593733952 469115196 /nfs/dbraw/zinc/11/51/96/469115196.db2.gz OYRCSIYVKWYECI-LRDDRELGSA-N 2 2 334.420 2.291 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157373 469898668 /nfs/dbraw/zinc/89/86/68/469898668.db2.gz GSUDEEZRZBQDAW-XJKSGUPXSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157373 469898670 /nfs/dbraw/zinc/89/86/70/469898670.db2.gz GSUDEEZRZBQDAW-XJKSGUPXSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+]1CCCCC1 ZINC000876957670 1199829818 /nfs/dbraw/zinc/82/98/18/1199829818.db2.gz YVYLPZJBJWDODD-OAHLLOKOSA-N 2 2 347.463 2.423 20 5 EEBDLP C[NH2+]C[C@H](C)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000842575720 1315724990 /nfs/dbraw/zinc/72/49/90/1315724990.db2.gz DAPGZQYDBCQFOE-JTQLQIEISA-N 2 2 328.332 2.153 20 5 EEBDLP C[NH+](C)C1(CNc2cc(Cl)ncc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001156176987 1317908062 /nfs/dbraw/zinc/90/80/62/1317908062.db2.gz XHFIFOIGFIUXDH-UHFFFAOYSA-N 2 2 327.816 2.081 20 5 EEBDLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254557301 1318120520 /nfs/dbraw/zinc/12/05/20/1318120520.db2.gz PGSZQAZJABSYRC-UWWQBHOKSA-N 2 2 333.432 2.178 20 5 EEBDLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254557301 1318120523 /nfs/dbraw/zinc/12/05/23/1318120523.db2.gz PGSZQAZJABSYRC-UWWQBHOKSA-N 2 2 333.432 2.178 20 5 EEBDLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254557301 1318120525 /nfs/dbraw/zinc/12/05/25/1318120525.db2.gz PGSZQAZJABSYRC-UWWQBHOKSA-N 2 2 333.432 2.178 20 5 EEBDLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254557301 1318120529 /nfs/dbraw/zinc/12/05/29/1318120529.db2.gz PGSZQAZJABSYRC-UWWQBHOKSA-N 2 2 333.432 2.178 20 5 EEBDLP Cn1c[nH+]cc1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000297745185 294329452 /nfs/dbraw/zinc/32/94/52/294329452.db2.gz KQOHKBRNVQVWKT-UHFFFAOYSA-N 2 2 330.388 2.414 20 5 EEBDLP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000566356264 319278395 /nfs/dbraw/zinc/27/83/95/319278395.db2.gz TWBNLYLVEQTNKM-UHFFFAOYSA-N 2 2 340.811 2.248 20 5 EEBDLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156488577 463031314 /nfs/dbraw/zinc/03/13/14/463031314.db2.gz CEWMGCHOJRQECM-CJNGLKHVSA-N 2 2 343.387 2.313 20 5 EEBDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156488577 463031317 /nfs/dbraw/zinc/03/13/17/463031317.db2.gz CEWMGCHOJRQECM-CJNGLKHVSA-N 2 2 343.387 2.313 20 5 EEBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803473 463327709 /nfs/dbraw/zinc/32/77/09/463327709.db2.gz UMXOTARKKICIKQ-INIZCTEOSA-N 2 2 349.431 2.018 20 5 EEBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803473 463327716 /nfs/dbraw/zinc/32/77/16/463327716.db2.gz UMXOTARKKICIKQ-INIZCTEOSA-N 2 2 349.431 2.018 20 5 EEBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000344556501 465674393 /nfs/dbraw/zinc/67/43/93/465674393.db2.gz ZHUUXQHWQJHLAH-KRWDZBQOSA-N 2 2 347.440 2.383 20 5 EEBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000344556501 465674397 /nfs/dbraw/zinc/67/43/97/465674397.db2.gz ZHUUXQHWQJHLAH-KRWDZBQOSA-N 2 2 347.440 2.383 20 5 EEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330871748 465839083 /nfs/dbraw/zinc/83/90/83/465839083.db2.gz RFTNUXQUXAFJAV-RHSMWYFYSA-N 2 2 348.447 2.362 20 5 EEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330871748 465839090 /nfs/dbraw/zinc/83/90/90/465839090.db2.gz RFTNUXQUXAFJAV-RHSMWYFYSA-N 2 2 348.447 2.362 20 5 EEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330871748 465839097 /nfs/dbraw/zinc/83/90/97/465839097.db2.gz RFTNUXQUXAFJAV-RHSMWYFYSA-N 2 2 348.447 2.362 20 5 EEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330871748 465839106 /nfs/dbraw/zinc/83/91/06/465839106.db2.gz RFTNUXQUXAFJAV-RHSMWYFYSA-N 2 2 348.447 2.362 20 5 EEBDLP CC[NH+](CC)CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353463988 465902697 /nfs/dbraw/zinc/90/26/97/465902697.db2.gz STVAKHJVLNYUTK-INIZCTEOSA-N 2 2 331.420 2.349 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423348740 466725395 /nfs/dbraw/zinc/72/53/95/466725395.db2.gz UPAILUASNYGAGL-WMZOPIPTSA-N 2 2 343.431 2.397 20 5 EEBDLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420318813 467354030 /nfs/dbraw/zinc/35/40/30/467354030.db2.gz OZJPXTQDBZVGGY-AWEZNQCLSA-N 2 2 328.800 2.150 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430555198 467439644 /nfs/dbraw/zinc/43/96/44/467439644.db2.gz OJAFMBPUNAGRIM-MELADBBJSA-N 2 2 334.420 2.289 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430555198 467439645 /nfs/dbraw/zinc/43/96/45/467439645.db2.gz OJAFMBPUNAGRIM-MELADBBJSA-N 2 2 334.420 2.289 20 5 EEBDLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592487889 468710019 /nfs/dbraw/zinc/71/00/19/468710019.db2.gz ANCJCRWGZGTLFG-MGPQQGTHSA-N 2 2 334.420 2.289 20 5 EEBDLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592487889 468710021 /nfs/dbraw/zinc/71/00/21/468710021.db2.gz ANCJCRWGZGTLFG-MGPQQGTHSA-N 2 2 334.420 2.289 20 5 EEBDLP CC1(C)C[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000596655879 469323353 /nfs/dbraw/zinc/32/33/53/469323353.db2.gz ZBGQPWFEUCWXPU-CQSZACIVSA-N 2 2 343.387 2.061 20 5 EEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000618567968 469391995 /nfs/dbraw/zinc/39/19/95/469391995.db2.gz ARAIZDRZJMVHNF-BZUAXINKSA-N 2 2 333.436 2.349 20 5 EEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000618567968 469391997 /nfs/dbraw/zinc/39/19/97/469391997.db2.gz ARAIZDRZJMVHNF-BZUAXINKSA-N 2 2 333.436 2.349 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157351 469897606 /nfs/dbraw/zinc/89/76/06/469897606.db2.gz FKXHEQJSARYTCO-CZUORRHYSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157351 469897611 /nfs/dbraw/zinc/89/76/11/469897611.db2.gz FKXHEQJSARYTCO-CZUORRHYSA-N 2 2 343.387 2.455 20 5 EEBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000872062215 1198037882 /nfs/dbraw/zinc/03/78/82/1198037882.db2.gz LCLUSRSLIJJIFY-IAQYHMDHSA-N 2 2 325.434 2.034 20 5 EEBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000872062215 1198037892 /nfs/dbraw/zinc/03/78/92/1198037892.db2.gz LCLUSRSLIJJIFY-IAQYHMDHSA-N 2 2 325.434 2.034 20 5 EEBDLP Cn1cc[nH+]c1[C@H](N[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591578259 468485895 /nfs/dbraw/zinc/48/58/95/468485895.db2.gz HVOUMQJVLWXTRC-GOEBONIOSA-N 2 2 329.404 2.149 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423205239 466696400 /nfs/dbraw/zinc/69/64/00/466696400.db2.gz DZNFVZOGRLLSDW-CJNGLKHVSA-N 2 2 329.404 2.007 20 5 EEBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000373462115 466811639 /nfs/dbraw/zinc/81/16/39/466811639.db2.gz YGERPJFVBWNYPJ-ZBFHGGJFSA-N 2 2 343.431 2.329 20 5 EEBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000373462115 466811644 /nfs/dbraw/zinc/81/16/44/466811644.db2.gz YGERPJFVBWNYPJ-ZBFHGGJFSA-N 2 2 343.431 2.329 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435230964 467452747 /nfs/dbraw/zinc/45/27/47/467452747.db2.gz SIGDAHQEHZGQGX-OAHLLOKOSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435230964 467452749 /nfs/dbraw/zinc/45/27/49/467452749.db2.gz SIGDAHQEHZGQGX-OAHLLOKOSA-N 2 2 332.404 2.058 20 5 EEBDLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414983120 467459965 /nfs/dbraw/zinc/45/99/65/467459965.db2.gz ZXJCIZGTTUWPQK-ZDUSSCGKSA-N 2 2 346.456 2.317 20 5 EEBDLP COc1ccc(C[C@H](C)[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246558104 1310341782 /nfs/dbraw/zinc/34/17/82/1310341782.db2.gz ONTZVPKFAXOLCV-AAEUAGOBSA-N 2 2 343.374 2.450 20 5 EEBDLP COc1ccc(C[C@H](C)[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246558104 1310341790 /nfs/dbraw/zinc/34/17/90/1310341790.db2.gz ONTZVPKFAXOLCV-AAEUAGOBSA-N 2 2 343.374 2.450 20 5 EEBDLP [NH3+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000843505612 1315925373 /nfs/dbraw/zinc/92/53/73/1315925373.db2.gz DTHUKXDBQRCCKV-UHFFFAOYSA-N 2 2 331.376 2.029 20 5 EEBDLP O=[N+]([O-])c1c(Cl)nc(Cl)nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155054359 1317435918 /nfs/dbraw/zinc/43/59/18/1317435918.db2.gz WRYUNSBNQUVJHB-UHFFFAOYSA-N 2 2 343.174 2.344 20 5 EEBDLP C[NH+](C)C1(CNc2cc(F)cc(F)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164212829 1321320190 /nfs/dbraw/zinc/32/01/90/1321320190.db2.gz FTYJWTXTXXDNCP-UHFFFAOYSA-N 2 2 328.363 2.311 20 5 EEBDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000118992906 221219591 /nfs/dbraw/zinc/21/95/91/221219591.db2.gz DTUGJCWZGQJMFT-UHFFFAOYSA-N 2 2 331.420 2.292 20 5 EEBDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000118992906 221219593 /nfs/dbraw/zinc/21/95/93/221219593.db2.gz DTUGJCWZGQJMFT-UHFFFAOYSA-N 2 2 331.420 2.292 20 5 EEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000271123881 256210296 /nfs/dbraw/zinc/21/02/96/256210296.db2.gz KAPDJYPKSFNBKG-UKRRQHHQSA-N 2 2 337.420 2.101 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247335966 160320378 /nfs/dbraw/zinc/32/03/78/160320378.db2.gz XGCITRUAKORYSF-CPUCHLNUSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247335966 160320379 /nfs/dbraw/zinc/32/03/79/160320379.db2.gz XGCITRUAKORYSF-CPUCHLNUSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247335966 160320380 /nfs/dbraw/zinc/32/03/80/160320380.db2.gz XGCITRUAKORYSF-CPUCHLNUSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247335966 160320381 /nfs/dbraw/zinc/32/03/81/160320381.db2.gz XGCITRUAKORYSF-CPUCHLNUSA-N 2 2 346.431 2.338 20 5 EEBDLP Cn1cc(C[NH2+]CCCn2cc[nH+]c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237915103 464401960 /nfs/dbraw/zinc/40/19/60/464401960.db2.gz YGXIMCBBIBUMFI-UHFFFAOYSA-N 2 2 340.387 2.372 20 5 EEBDLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423531258 466768413 /nfs/dbraw/zinc/76/84/13/466768413.db2.gz ZSKSFJFXGYBZIW-RTBURBONSA-N 2 2 340.427 2.177 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NCCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423545758 466771782 /nfs/dbraw/zinc/77/17/82/466771782.db2.gz DQOJOGLNZMVBTA-INIZCTEOSA-N 2 2 329.404 2.149 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cccc1[N+](=O)[O-] ZINC000420355093 467375556 /nfs/dbraw/zinc/37/55/56/467375556.db2.gz BQAKTULWPPVYAB-YGSHXTJESA-N 2 2 334.420 2.206 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532240655 468105302 /nfs/dbraw/zinc/10/53/02/468105302.db2.gz VEOLJJYAJDOANE-UONOGXRCSA-N 2 2 334.420 2.243 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532240655 468105304 /nfs/dbraw/zinc/10/53/04/468105304.db2.gz VEOLJJYAJDOANE-UONOGXRCSA-N 2 2 334.420 2.243 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532530739 468123146 /nfs/dbraw/zinc/12/31/46/468123146.db2.gz MHFBCYZADIEQIF-UONOGXRCSA-N 2 2 334.420 2.243 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532530739 468123147 /nfs/dbraw/zinc/12/31/47/468123147.db2.gz MHFBCYZADIEQIF-UONOGXRCSA-N 2 2 334.420 2.243 20 5 EEBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC([NH2+]CCO)CC3)o2)cc1 ZINC000602019575 469148000 /nfs/dbraw/zinc/14/80/00/469148000.db2.gz HBODLWGDBUOXNE-UHFFFAOYSA-N 2 2 345.399 2.401 20 5 EEBDLP Cc1nn(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1[N+](=O)[O-] ZINC000773340542 577334697 /nfs/dbraw/zinc/33/46/97/577334697.db2.gz PHRSCFYPCCDBOY-UHFFFAOYSA-N 2 2 331.376 2.304 20 5 EEBDLP COc1c(O)ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000892227443 678280697 /nfs/dbraw/zinc/28/06/97/678280697.db2.gz KJNZCNDOJKOHTB-OCCSQVGLSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000892227443 678280699 /nfs/dbraw/zinc/28/06/99/678280699.db2.gz KJNZCNDOJKOHTB-OCCSQVGLSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000892227443 678280704 /nfs/dbraw/zinc/28/07/04/678280704.db2.gz KJNZCNDOJKOHTB-OCCSQVGLSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000892227443 678280707 /nfs/dbraw/zinc/28/07/07/678280707.db2.gz KJNZCNDOJKOHTB-OCCSQVGLSA-N 2 2 335.404 2.225 20 5 EEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000876546771 1199665343 /nfs/dbraw/zinc/66/53/43/1199665343.db2.gz VHXLXEOKENYBQY-UHFFFAOYSA-N 2 2 346.475 2.425 20 5 EEBDLP C[NH+]1CCN(C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000877747390 1200072804 /nfs/dbraw/zinc/07/28/04/1200072804.db2.gz JNUFLCDSVFMJOZ-GQCTYLIASA-N 2 2 344.459 2.320 20 5 EEBDLP COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001246584301 1310348494 /nfs/dbraw/zinc/34/84/94/1310348494.db2.gz IYRRXTJXXKZBHV-CQDKDKBSSA-N 2 2 325.384 2.296 20 5 EEBDLP COc1ccc(C[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001246584301 1310348502 /nfs/dbraw/zinc/34/85/02/1310348502.db2.gz IYRRXTJXXKZBHV-CQDKDKBSSA-N 2 2 325.384 2.296 20 5 EEBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000422632002 240167390 /nfs/dbraw/zinc/16/73/90/240167390.db2.gz GEOHEYPWZHQTHQ-YRGRVCCFSA-N 2 2 345.403 2.450 20 5 EEBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000422632002 240167394 /nfs/dbraw/zinc/16/73/94/240167394.db2.gz GEOHEYPWZHQTHQ-YRGRVCCFSA-N 2 2 345.403 2.450 20 5 EEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000269625733 268712079 /nfs/dbraw/zinc/71/20/79/268712079.db2.gz COHYHHUINYIHIR-YJBOKZPZSA-N 2 2 333.432 2.436 20 5 EEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000269625733 268712081 /nfs/dbraw/zinc/71/20/81/268712081.db2.gz COHYHHUINYIHIR-YJBOKZPZSA-N 2 2 333.432 2.436 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423205241 294427992 /nfs/dbraw/zinc/42/79/92/294427992.db2.gz DZNFVZOGRLLSDW-XJKSGUPXSA-N 2 2 329.404 2.007 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080988888 463380087 /nfs/dbraw/zinc/38/00/87/463380087.db2.gz BXYQVXPCHGHHHP-CYBMUJFWSA-N 2 2 343.387 2.444 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080988888 463380089 /nfs/dbraw/zinc/38/00/89/463380089.db2.gz BXYQVXPCHGHHHP-CYBMUJFWSA-N 2 2 343.387 2.444 20 5 EEBDLP Cc1nc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000268476419 463759565 /nfs/dbraw/zinc/75/95/65/463759565.db2.gz KKOMJCCOMBKIOY-UHFFFAOYSA-N 2 2 333.436 2.269 20 5 EEBDLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000173613997 464293273 /nfs/dbraw/zinc/29/32/73/464293273.db2.gz KWSNZHVUDCIKRE-CYBMUJFWSA-N 2 2 334.420 2.384 20 5 EEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258439 465673713 /nfs/dbraw/zinc/67/37/13/465673713.db2.gz NRFLOKMBOCCGOY-KRWDZBQOSA-N 2 2 332.448 2.195 20 5 EEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258439 465673717 /nfs/dbraw/zinc/67/37/17/465673717.db2.gz NRFLOKMBOCCGOY-KRWDZBQOSA-N 2 2 332.448 2.195 20 5 EEBDLP CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371258439 465673722 /nfs/dbraw/zinc/67/37/22/465673722.db2.gz NRFLOKMBOCCGOY-KRWDZBQOSA-N 2 2 332.448 2.195 20 5 EEBDLP CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371258439 465673730 /nfs/dbraw/zinc/67/37/30/465673730.db2.gz NRFLOKMBOCCGOY-KRWDZBQOSA-N 2 2 332.448 2.195 20 5 EEBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000344556502 465674136 /nfs/dbraw/zinc/67/41/36/465674136.db2.gz ZHUUXQHWQJHLAH-QGZVFWFLSA-N 2 2 347.440 2.383 20 5 EEBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000344556502 465674143 /nfs/dbraw/zinc/67/41/43/465674143.db2.gz ZHUUXQHWQJHLAH-QGZVFWFLSA-N 2 2 347.440 2.383 20 5 EEBDLP CC[NH+](CC)CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353463989 465903159 /nfs/dbraw/zinc/90/31/59/465903159.db2.gz STVAKHJVLNYUTK-MRXNPFEDSA-N 2 2 331.420 2.349 20 5 EEBDLP C[C@@H](CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000353504604 465938898 /nfs/dbraw/zinc/93/88/98/465938898.db2.gz SHQGYPQSRSVWMR-GUYCJALGSA-N 2 2 343.431 2.490 20 5 EEBDLP C[C@@H](CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000353504604 465938904 /nfs/dbraw/zinc/93/89/04/465938904.db2.gz SHQGYPQSRSVWMR-GUYCJALGSA-N 2 2 343.431 2.490 20 5 EEBDLP CC[N@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000338770038 466369003 /nfs/dbraw/zinc/36/90/03/466369003.db2.gz YIGSXXZBUVILHK-UHFFFAOYSA-N 2 2 345.403 2.241 20 5 EEBDLP CC[N@@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000338770038 466369009 /nfs/dbraw/zinc/36/90/09/466369009.db2.gz YIGSXXZBUVILHK-UHFFFAOYSA-N 2 2 345.403 2.241 20 5 EEBDLP CC[NH+]1CCC([N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000362184599 466610550 /nfs/dbraw/zinc/61/05/50/466610550.db2.gz SLBNGCMJSIWFOZ-UHFFFAOYSA-N 2 2 337.420 2.398 20 5 EEBDLP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000362184599 466610552 /nfs/dbraw/zinc/61/05/52/466610552.db2.gz SLBNGCMJSIWFOZ-UHFFFAOYSA-N 2 2 337.420 2.398 20 5 EEBDLP C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000420301026 467344442 /nfs/dbraw/zinc/34/44/42/467344442.db2.gz ACMGFYHLAUABIL-NSHDSACASA-N 2 2 340.811 2.261 20 5 EEBDLP C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000420301026 467344443 /nfs/dbraw/zinc/34/44/43/467344443.db2.gz ACMGFYHLAUABIL-NSHDSACASA-N 2 2 340.811 2.261 20 5 EEBDLP CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435616291 467481172 /nfs/dbraw/zinc/48/11/72/467481172.db2.gz RTGJOBKQEAEYCX-CQSZACIVSA-N 2 2 334.420 2.306 20 5 EEBDLP CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435616291 467481176 /nfs/dbraw/zinc/48/11/76/467481176.db2.gz RTGJOBKQEAEYCX-CQSZACIVSA-N 2 2 334.420 2.306 20 5 EEBDLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592487888 468709174 /nfs/dbraw/zinc/70/91/74/468709174.db2.gz ANCJCRWGZGTLFG-MCIONIFRSA-N 2 2 334.420 2.289 20 5 EEBDLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592487888 468709181 /nfs/dbraw/zinc/70/91/81/468709181.db2.gz ANCJCRWGZGTLFG-MCIONIFRSA-N 2 2 334.420 2.289 20 5 EEBDLP CCC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596652064 469322418 /nfs/dbraw/zinc/32/24/18/469322418.db2.gz FSFJWWVYKMIVMF-CQSZACIVSA-N 2 2 331.376 2.180 20 5 EEBDLP Cc1nn(C[N@H+](C)CCCn2cc[nH+]c2)c2ccc([N+](=O)[O-])cc12 ZINC000767760507 577544328 /nfs/dbraw/zinc/54/43/28/577544328.db2.gz YOIYOJJMYXPPIZ-UHFFFAOYSA-N 2 2 328.376 2.429 20 5 EEBDLP Cc1nn(C[N@@H+](C)CCCn2cc[nH+]c2)c2ccc([N+](=O)[O-])cc12 ZINC000767760507 577544329 /nfs/dbraw/zinc/54/43/29/577544329.db2.gz YOIYOJJMYXPPIZ-UHFFFAOYSA-N 2 2 328.376 2.429 20 5 EEBDLP CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160738745 1320254375 /nfs/dbraw/zinc/25/43/75/1320254375.db2.gz QAHYQYMWTIXNGI-ICSRJNTNSA-N 2 2 333.435 2.498 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442760256 242107162 /nfs/dbraw/zinc/10/71/62/242107162.db2.gz GEIWIPCVTLVULP-PBWFPOADSA-N 2 2 332.404 2.057 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442760256 242107168 /nfs/dbraw/zinc/10/71/68/242107168.db2.gz GEIWIPCVTLVULP-PBWFPOADSA-N 2 2 332.404 2.057 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246223380 243214833 /nfs/dbraw/zinc/21/48/33/243214833.db2.gz ZNXPUFAKZUAEHT-KGLIPLIRSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246223380 243214838 /nfs/dbraw/zinc/21/48/38/243214838.db2.gz ZNXPUFAKZUAEHT-KGLIPLIRSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246223380 243214841 /nfs/dbraw/zinc/21/48/41/243214841.db2.gz ZNXPUFAKZUAEHT-KGLIPLIRSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246223380 243214845 /nfs/dbraw/zinc/21/48/45/243214845.db2.gz ZNXPUFAKZUAEHT-KGLIPLIRSA-N 2 2 334.420 2.195 20 5 EEBDLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000352504855 162163302 /nfs/dbraw/zinc/16/33/02/162163302.db2.gz VMNIYIDMIBTJIQ-CYBMUJFWSA-N 2 2 331.376 2.348 20 5 EEBDLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000352504855 162163304 /nfs/dbraw/zinc/16/33/04/162163304.db2.gz VMNIYIDMIBTJIQ-CYBMUJFWSA-N 2 2 331.376 2.348 20 5 EEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000525171055 317042102 /nfs/dbraw/zinc/04/21/02/317042102.db2.gz PBNAGGYPGKTQJE-OAHLLOKOSA-N 2 2 338.477 2.257 20 5 EEBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000525171055 317042103 /nfs/dbraw/zinc/04/21/03/317042103.db2.gz PBNAGGYPGKTQJE-OAHLLOKOSA-N 2 2 338.477 2.257 20 5 EEBDLP CN(c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000069739100 463314769 /nfs/dbraw/zinc/31/47/69/463314769.db2.gz KYTZZVQEEMVERR-HNNXBMFYSA-N 2 2 336.411 2.339 20 5 EEBDLP CN(c1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000069739100 463314771 /nfs/dbraw/zinc/31/47/71/463314771.db2.gz KYTZZVQEEMVERR-HNNXBMFYSA-N 2 2 336.411 2.339 20 5 EEBDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000361135913 465791350 /nfs/dbraw/zinc/79/13/50/465791350.db2.gz JVODMRABDOVDHN-UHFFFAOYSA-N 2 2 349.431 2.410 20 5 EEBDLP CC[N@H+](CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353493875 465930899 /nfs/dbraw/zinc/93/08/99/465930899.db2.gz ABLQNHMGUQXMHX-QGZVFWFLSA-N 2 2 343.431 2.492 20 5 EEBDLP CC[N@@H+](CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353493875 465930909 /nfs/dbraw/zinc/93/09/09/465930909.db2.gz ABLQNHMGUQXMHX-QGZVFWFLSA-N 2 2 343.431 2.492 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577832 468485648 /nfs/dbraw/zinc/48/56/48/468485648.db2.gz IPCJMPINUKIFPC-GDBMZVCRSA-N 2 2 329.404 2.149 20 5 EEBDLP COc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c([N+](=O)[O-])cc1OC ZINC000368496926 466649374 /nfs/dbraw/zinc/64/93/74/466649374.db2.gz TUTGYRDZFSBMML-UHFFFAOYSA-N 2 2 346.387 2.435 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420408123 467398185 /nfs/dbraw/zinc/39/81/85/467398185.db2.gz OYRIITHTPDYWSY-KWCYVHTRSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420408123 467398188 /nfs/dbraw/zinc/39/81/88/467398188.db2.gz OYRIITHTPDYWSY-KWCYVHTRSA-N 2 2 334.420 2.147 20 5 EEBDLP C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C[NH3+] ZINC000420415738 467401420 /nfs/dbraw/zinc/40/14/20/467401420.db2.gz VDXJGUJPNRZMJR-AAEUAGOBSA-N 2 2 331.376 2.062 20 5 EEBDLP C[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C[NH3+] ZINC000420415738 467401425 /nfs/dbraw/zinc/40/14/25/467401425.db2.gz VDXJGUJPNRZMJR-AAEUAGOBSA-N 2 2 331.376 2.062 20 5 EEBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274812 469217806 /nfs/dbraw/zinc/21/78/06/469217806.db2.gz WBQRRHQYESCTAI-ZDUSSCGKSA-N 2 2 335.404 2.140 20 5 EEBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274812 469217810 /nfs/dbraw/zinc/21/78/10/469217810.db2.gz WBQRRHQYESCTAI-ZDUSSCGKSA-N 2 2 335.404 2.140 20 5 EEBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274812 469217815 /nfs/dbraw/zinc/21/78/15/469217815.db2.gz WBQRRHQYESCTAI-ZDUSSCGKSA-N 2 2 335.404 2.140 20 5 EEBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274812 469217820 /nfs/dbraw/zinc/21/78/20/469217820.db2.gz WBQRRHQYESCTAI-ZDUSSCGKSA-N 2 2 335.404 2.140 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599423599 469250649 /nfs/dbraw/zinc/25/06/49/469250649.db2.gz RNNIJMGCZGASSW-UHFFFAOYSA-N 2 2 329.360 2.013 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000599423599 469250652 /nfs/dbraw/zinc/25/06/52/469250652.db2.gz RNNIJMGCZGASSW-UHFFFAOYSA-N 2 2 329.360 2.013 20 5 EEBDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609386392 469924510 /nfs/dbraw/zinc/92/45/10/469924510.db2.gz RKLWNZRFHMUKDZ-HNNXBMFYSA-N 2 2 334.420 2.386 20 5 EEBDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609386392 469924514 /nfs/dbraw/zinc/92/45/14/469924514.db2.gz RKLWNZRFHMUKDZ-HNNXBMFYSA-N 2 2 334.420 2.386 20 5 EEBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039946 577493357 /nfs/dbraw/zinc/49/33/57/577493357.db2.gz UIPBLPFAGFLVHJ-AWEZNQCLSA-N 2 2 331.420 2.484 20 5 EEBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039946 577493358 /nfs/dbraw/zinc/49/33/58/577493358.db2.gz UIPBLPFAGFLVHJ-AWEZNQCLSA-N 2 2 331.420 2.484 20 5 EEBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039946 577493359 /nfs/dbraw/zinc/49/33/59/577493359.db2.gz UIPBLPFAGFLVHJ-AWEZNQCLSA-N 2 2 331.420 2.484 20 5 EEBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000765039946 577493360 /nfs/dbraw/zinc/49/33/60/577493360.db2.gz UIPBLPFAGFLVHJ-AWEZNQCLSA-N 2 2 331.420 2.484 20 5 EEBDLP COc1ccc(C[C@@H](C)[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246558106 1310340573 /nfs/dbraw/zinc/34/05/73/1310340573.db2.gz ONTZVPKFAXOLCV-DGCLKSJQSA-N 2 2 343.374 2.450 20 5 EEBDLP COc1ccc(C[C@@H](C)[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246558106 1310340580 /nfs/dbraw/zinc/34/05/80/1310340580.db2.gz ONTZVPKFAXOLCV-DGCLKSJQSA-N 2 2 343.374 2.450 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000843124807 1315848587 /nfs/dbraw/zinc/84/85/87/1315848587.db2.gz HIDWDQOJVIVCRQ-CYBMUJFWSA-N 2 2 339.823 2.436 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000843124807 1315848590 /nfs/dbraw/zinc/84/85/90/1315848590.db2.gz HIDWDQOJVIVCRQ-CYBMUJFWSA-N 2 2 339.823 2.436 20 5 EEBDLP C[N@H+]1CCc2c(NCC[NH+]3CCSCC3)ccc([N+](=O)[O-])c2C1 ZINC001167838360 777052952 /nfs/dbraw/zinc/05/29/52/777052952.db2.gz AVLOXTSTCALZLW-UHFFFAOYSA-N 2 2 336.461 2.043 20 5 EEBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001168737435 802317688 /nfs/dbraw/zinc/31/76/88/802317688.db2.gz XBNHFLVZIWKHSK-UHFFFAOYSA-N 2 2 347.297 2.087 20 5 EEBDLP COc1ccc(OCC[N@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181078572 234080843 /nfs/dbraw/zinc/08/08/43/234080843.db2.gz IIIUEWILLFLPKY-UHFFFAOYSA-N 2 2 334.376 2.201 20 5 EEBDLP COc1ccc(OCC[N@@H+](C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181078572 234080849 /nfs/dbraw/zinc/08/08/49/234080849.db2.gz IIIUEWILLFLPKY-UHFFFAOYSA-N 2 2 334.376 2.201 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422632190 240167495 /nfs/dbraw/zinc/16/74/95/240167495.db2.gz GJVKGSANNNUHQF-IHRRRGAJSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422632190 240167500 /nfs/dbraw/zinc/16/75/00/240167500.db2.gz GJVKGSANNNUHQF-IHRRRGAJSA-N 2 2 334.420 2.147 20 5 EEBDLP C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000271216615 256221126 /nfs/dbraw/zinc/22/11/26/256221126.db2.gz IZSJPDVFOPQCQD-COXVUDFISA-N 2 2 330.388 2.408 20 5 EEBDLP C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000271216615 256221127 /nfs/dbraw/zinc/22/11/27/256221127.db2.gz IZSJPDVFOPQCQD-COXVUDFISA-N 2 2 330.388 2.408 20 5 EEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000072637079 463527959 /nfs/dbraw/zinc/52/79/59/463527959.db2.gz ZWJADRJWEGKQBB-JKSUJKDBSA-N 2 2 332.448 2.368 20 5 EEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000072637079 463527964 /nfs/dbraw/zinc/52/79/64/463527964.db2.gz ZWJADRJWEGKQBB-JKSUJKDBSA-N 2 2 332.448 2.368 20 5 EEBDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000176245603 464730426 /nfs/dbraw/zinc/73/04/26/464730426.db2.gz OWPCEWJYOSXRKM-MRXNPFEDSA-N 2 2 335.452 2.235 20 5 EEBDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000176245603 464730431 /nfs/dbraw/zinc/73/04/31/464730431.db2.gz OWPCEWJYOSXRKM-MRXNPFEDSA-N 2 2 335.452 2.235 20 5 EEBDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000430954914 467481888 /nfs/dbraw/zinc/48/18/88/467481888.db2.gz YEFNBUSQEAKJPW-JTQLQIEISA-N 2 2 345.346 2.246 20 5 EEBDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000430954914 467481891 /nfs/dbraw/zinc/48/18/91/467481891.db2.gz YEFNBUSQEAKJPW-JTQLQIEISA-N 2 2 345.346 2.246 20 5 EEBDLP C[C@H]([C@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[NH+]1CCOCC1 ZINC000601113917 468745200 /nfs/dbraw/zinc/74/52/00/468745200.db2.gz JITNXDKERPHEFY-QWHCGFSZSA-N 2 2 330.388 2.086 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157349 469897305 /nfs/dbraw/zinc/89/73/05/469897305.db2.gz FKXHEQJSARYTCO-BBRMVZONSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157349 469897311 /nfs/dbraw/zinc/89/73/11/469897311.db2.gz FKXHEQJSARYTCO-BBRMVZONSA-N 2 2 343.387 2.455 20 5 EEBDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074398 577986701 /nfs/dbraw/zinc/98/67/01/577986701.db2.gz YFTNBGPJXKHZFK-YJBOKZPZSA-N 2 2 333.432 2.292 20 5 EEBDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074398 577986702 /nfs/dbraw/zinc/98/67/02/577986702.db2.gz YFTNBGPJXKHZFK-YJBOKZPZSA-N 2 2 333.432 2.292 20 5 EEBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074398 577986703 /nfs/dbraw/zinc/98/67/03/577986703.db2.gz YFTNBGPJXKHZFK-YJBOKZPZSA-N 2 2 333.432 2.292 20 5 EEBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074398 577986704 /nfs/dbraw/zinc/98/67/04/577986704.db2.gz YFTNBGPJXKHZFK-YJBOKZPZSA-N 2 2 333.432 2.292 20 5 EEBDLP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570711 1201525807 /nfs/dbraw/zinc/52/58/07/1201525807.db2.gz ZUYRMIHTXTWLRT-MRXNPFEDSA-N 2 2 340.387 2.327 20 5 EEBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC001252590643 1317640888 /nfs/dbraw/zinc/64/08/88/1317640888.db2.gz YGNVTFYLWNBTDV-UHFFFAOYSA-N 2 2 338.327 2.318 20 5 EEBDLP COc1cc(N2CCC([NH2+][C@H](C)C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001256086633 1318642610 /nfs/dbraw/zinc/64/26/10/1318642610.db2.gz ZVXQVDROOOAAKS-CYBMUJFWSA-N 2 2 336.436 2.112 20 5 EEBDLP Cc1[nH+]c2c(n1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001165351825 1321507020 /nfs/dbraw/zinc/50/70/20/1321507020.db2.gz KXNUDEABMRNYCK-UHFFFAOYSA-N 2 2 342.186 2.479 20 5 EEBDLP CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001575530851 1343819802 /nfs/dbraw/zinc/81/98/02/1343819802.db2.gz ILFBRLXKSWOHKL-QGZVFWFLSA-N 2 2 345.403 2.274 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1F ZINC001173180872 797278745 /nfs/dbraw/zinc/27/87/45/797278745.db2.gz YQSOIDANSDAYIO-NEPJUHHUSA-N 2 2 325.384 2.357 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1F ZINC001173180872 797278750 /nfs/dbraw/zinc/27/87/50/797278750.db2.gz YQSOIDANSDAYIO-NEPJUHHUSA-N 2 2 325.384 2.357 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636670 240168334 /nfs/dbraw/zinc/16/83/34/240168334.db2.gz NJSYPBYNYQYXJA-RDBSUJKOSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636670 240168341 /nfs/dbraw/zinc/16/83/41/240168341.db2.gz NJSYPBYNYQYXJA-RDBSUJKOSA-N 2 2 334.420 2.147 20 5 EEBDLP C[C@H]1[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000447803875 242317053 /nfs/dbraw/zinc/31/70/53/242317053.db2.gz CGYJVQSENZEGOF-HOCLYGCPSA-N 2 2 348.447 2.322 20 5 EEBDLP C[C@H]1[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000447803875 242317058 /nfs/dbraw/zinc/31/70/58/242317058.db2.gz CGYJVQSENZEGOF-HOCLYGCPSA-N 2 2 348.447 2.322 20 5 EEBDLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000352503678 162161161 /nfs/dbraw/zinc/16/11/61/162161161.db2.gz IVVJZGQDUUUQNS-CYBMUJFWSA-N 2 2 331.376 2.348 20 5 EEBDLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000352503678 162161163 /nfs/dbraw/zinc/16/11/63/162161163.db2.gz IVVJZGQDUUUQNS-CYBMUJFWSA-N 2 2 331.376 2.348 20 5 EEBDLP COc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1[N+](=O)[O-] ZINC000352771738 162280652 /nfs/dbraw/zinc/28/06/52/162280652.db2.gz NWUUQKXQXKYSHJ-UHFFFAOYSA-N 2 2 336.417 2.411 20 5 EEBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360256016 164269194 /nfs/dbraw/zinc/26/91/94/164269194.db2.gz XERHTMUGOLZSEZ-ZIAGYGMSSA-N 2 2 335.404 2.328 20 5 EEBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360256016 164269196 /nfs/dbraw/zinc/26/91/96/164269196.db2.gz XERHTMUGOLZSEZ-ZIAGYGMSSA-N 2 2 335.404 2.328 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000441255356 315177010 /nfs/dbraw/zinc/17/70/10/315177010.db2.gz KQRJWERUICDCIM-DQYPLSBCSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000441255356 315177011 /nfs/dbraw/zinc/17/70/11/315177011.db2.gz KQRJWERUICDCIM-DQYPLSBCSA-N 2 2 337.395 2.417 20 5 EEBDLP COc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1[N+](=O)[O-] ZINC000351544632 465212471 /nfs/dbraw/zinc/21/24/71/465212471.db2.gz JHRMVRWQJAEFNW-UHFFFAOYSA-N 2 2 339.355 2.855 20 5 EEBDLP O=[N+]([O-])c1ccc2oc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000151156705 463485182 /nfs/dbraw/zinc/48/51/82/463485182.db2.gz OMSBGRGJXARHGI-UHFFFAOYSA-N 2 2 339.355 2.453 20 5 EEBDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000172245956 464028280 /nfs/dbraw/zinc/02/82/80/464028280.db2.gz GEIHPOJXUOIIHA-UHFFFAOYSA-N 2 2 348.447 2.016 20 5 EEBDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000172245956 464028286 /nfs/dbraw/zinc/02/82/86/464028286.db2.gz GEIHPOJXUOIIHA-UHFFFAOYSA-N 2 2 348.447 2.016 20 5 EEBDLP Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000264439072 464326370 /nfs/dbraw/zinc/32/63/70/464326370.db2.gz FHQJKXJNSNVHQE-UHFFFAOYSA-N 2 2 333.436 2.269 20 5 EEBDLP CN1CC[NH+](CC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000265457922 464566912 /nfs/dbraw/zinc/56/69/12/464566912.db2.gz WGKIKSGVJVBXIS-UHFFFAOYSA-N 2 2 338.477 2.116 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371294260 465692698 /nfs/dbraw/zinc/69/26/98/465692698.db2.gz JQQPCTJKFWKONU-QILLFSRXSA-N 2 2 349.431 2.287 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371294260 465692704 /nfs/dbraw/zinc/69/27/04/465692704.db2.gz JQQPCTJKFWKONU-QILLFSRXSA-N 2 2 349.431 2.287 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357084352 465756764 /nfs/dbraw/zinc/75/67/64/465756764.db2.gz PVCCXLHRFUGZEC-ZYHUDNBSSA-N 2 2 327.331 2.238 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357084352 465756769 /nfs/dbraw/zinc/75/67/69/465756769.db2.gz PVCCXLHRFUGZEC-ZYHUDNBSSA-N 2 2 327.331 2.238 20 5 EEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000368445415 466638117 /nfs/dbraw/zinc/63/81/17/466638117.db2.gz KTSBDGCICDPZQZ-GFCCVEGCSA-N 2 2 339.827 2.224 20 5 EEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000368445415 466638119 /nfs/dbraw/zinc/63/81/19/466638119.db2.gz KTSBDGCICDPZQZ-GFCCVEGCSA-N 2 2 339.827 2.224 20 5 EEBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521863 468887902 /nfs/dbraw/zinc/88/79/02/468887902.db2.gz FXDSCXQLLXMSFW-FUHWJXTLSA-N 2 2 335.448 2.475 20 5 EEBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521863 468887906 /nfs/dbraw/zinc/88/79/06/468887906.db2.gz FXDSCXQLLXMSFW-FUHWJXTLSA-N 2 2 335.448 2.475 20 5 EEBDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521863 468887907 /nfs/dbraw/zinc/88/79/07/468887907.db2.gz FXDSCXQLLXMSFW-FUHWJXTLSA-N 2 2 335.448 2.475 20 5 EEBDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521863 468887911 /nfs/dbraw/zinc/88/79/11/468887911.db2.gz FXDSCXQLLXMSFW-FUHWJXTLSA-N 2 2 335.448 2.475 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1F ZINC000563350606 469233903 /nfs/dbraw/zinc/23/39/03/469233903.db2.gz PIHFDGBHJRDEIT-NSHDSACASA-N 2 2 334.351 2.466 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1F ZINC000563350606 469233907 /nfs/dbraw/zinc/23/39/07/469233907.db2.gz PIHFDGBHJRDEIT-NSHDSACASA-N 2 2 334.351 2.466 20 5 EEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000618567970 469391964 /nfs/dbraw/zinc/39/19/64/469391964.db2.gz ARAIZDRZJMVHNF-OWCLPIDISA-N 2 2 333.436 2.349 20 5 EEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000618567970 469391967 /nfs/dbraw/zinc/39/19/67/469391967.db2.gz ARAIZDRZJMVHNF-OWCLPIDISA-N 2 2 333.436 2.349 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000755793357 577831639 /nfs/dbraw/zinc/83/16/39/577831639.db2.gz ZGJSIMFYVHKQBL-CYBMUJFWSA-N 2 2 326.360 2.125 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000755793357 577831640 /nfs/dbraw/zinc/83/16/40/577831640.db2.gz ZGJSIMFYVHKQBL-CYBMUJFWSA-N 2 2 326.360 2.125 20 5 EEBDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000902435808 1237596706 /nfs/dbraw/zinc/59/67/06/1237596706.db2.gz VDKKPARJHBICMO-UIBIWLFHSA-N 2 2 341.415 2.489 20 5 EEBDLP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000903865767 1242221729 /nfs/dbraw/zinc/22/17/29/1242221729.db2.gz REAAXHIXFUJKOW-KRWDZBQOSA-N 2 2 332.404 2.060 20 5 EEBDLP Cc1c(NC(=O)CC[N@H+]2CCC[C@@]23CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000903865767 1242221734 /nfs/dbraw/zinc/22/17/34/1242221734.db2.gz REAAXHIXFUJKOW-KRWDZBQOSA-N 2 2 332.404 2.060 20 5 EEBDLP C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C[NH3+])C1 ZINC000852760444 1292190166 /nfs/dbraw/zinc/19/01/66/1292190166.db2.gz ZSYSDGHCIZOJEF-YPMHNXCESA-N 2 2 338.383 2.122 20 5 EEBDLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C[NH3+])C1 ZINC000852760444 1292190172 /nfs/dbraw/zinc/19/01/72/1292190172.db2.gz ZSYSDGHCIZOJEF-YPMHNXCESA-N 2 2 338.383 2.122 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1F ZINC001246089371 1310234150 /nfs/dbraw/zinc/23/41/50/1310234150.db2.gz DLBJAPYMTGDUFI-NWDGAFQWSA-N 2 2 325.384 2.405 20 5 EEBDLP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C[NH3+] ZINC000843351106 1315896901 /nfs/dbraw/zinc/89/69/01/1315896901.db2.gz GYPQEBUZLLRMCQ-ABAIWWIYSA-N 2 2 338.383 2.122 20 5 EEBDLP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C[NH3+] ZINC000843351106 1315896897 /nfs/dbraw/zinc/89/68/97/1315896897.db2.gz GYPQEBUZLLRMCQ-ABAIWWIYSA-N 2 2 338.383 2.122 20 5 EEBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000164636438 789244807 /nfs/dbraw/zinc/24/48/07/789244807.db2.gz PNYKMYZMUMGSDG-CJNGLKHVSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000164636438 789244813 /nfs/dbraw/zinc/24/48/13/789244813.db2.gz PNYKMYZMUMGSDG-CJNGLKHVSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000164636438 789244826 /nfs/dbraw/zinc/24/48/26/789244826.db2.gz PNYKMYZMUMGSDG-CJNGLKHVSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000164636438 789244833 /nfs/dbraw/zinc/24/48/33/789244833.db2.gz PNYKMYZMUMGSDG-CJNGLKHVSA-N 2 2 329.404 2.318 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1F ZINC001173180875 797278617 /nfs/dbraw/zinc/27/86/17/797278617.db2.gz YQSOIDANSDAYIO-VXGBXAGGSA-N 2 2 325.384 2.357 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1F ZINC001173180875 797278620 /nfs/dbraw/zinc/27/86/20/797278620.db2.gz YQSOIDANSDAYIO-VXGBXAGGSA-N 2 2 325.384 2.357 20 5 EEBDLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Br)cc1 ZINC001168977424 803543800 /nfs/dbraw/zinc/54/38/00/803543800.db2.gz JRFCJXHEEGKSIL-HONMWMINSA-N 2 2 342.237 2.484 20 5 EEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)CC1 ZINC000804450278 810875753 /nfs/dbraw/zinc/87/57/53/810875753.db2.gz JJAHBXMVMAMGHX-GFCCVEGCSA-N 2 2 349.391 2.083 20 5 EEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)CC1 ZINC000804450278 810875759 /nfs/dbraw/zinc/87/57/59/810875759.db2.gz JJAHBXMVMAMGHX-GFCCVEGCSA-N 2 2 349.391 2.083 20 5 EEBDLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549661 243154422 /nfs/dbraw/zinc/15/44/22/243154422.db2.gz PZCDFVLAEGNPDA-YJBOKZPZSA-N 2 2 333.432 2.229 20 5 EEBDLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549661 243154427 /nfs/dbraw/zinc/15/44/27/243154427.db2.gz PZCDFVLAEGNPDA-YJBOKZPZSA-N 2 2 333.432 2.229 20 5 EEBDLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549661 243154431 /nfs/dbraw/zinc/15/44/31/243154431.db2.gz PZCDFVLAEGNPDA-YJBOKZPZSA-N 2 2 333.432 2.229 20 5 EEBDLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549661 243154435 /nfs/dbraw/zinc/15/44/35/243154435.db2.gz PZCDFVLAEGNPDA-YJBOKZPZSA-N 2 2 333.432 2.229 20 5 EEBDLP O=C(CC[NH2+]Cc1c[nH+]c2n1CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000579465786 468362645 /nfs/dbraw/zinc/36/26/45/468362645.db2.gz KNSQCGGMXNFFDD-UHFFFAOYSA-N 2 2 343.387 2.246 20 5 EEBDLP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268965971 463830076 /nfs/dbraw/zinc/83/00/76/463830076.db2.gz YJPCWPWFLBSYCV-DLBZAZTESA-N 2 2 348.447 2.365 20 5 EEBDLP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268965971 463830079 /nfs/dbraw/zinc/83/00/79/463830079.db2.gz YJPCWPWFLBSYCV-DLBZAZTESA-N 2 2 348.447 2.365 20 5 EEBDLP CN(C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000266943415 464879992 /nfs/dbraw/zinc/87/99/92/464879992.db2.gz RXPMQZYMDCSXDE-ZDUSSCGKSA-N 2 2 343.387 2.160 20 5 EEBDLP CN(C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000266943415 464880001 /nfs/dbraw/zinc/88/00/01/464880001.db2.gz RXPMQZYMDCSXDE-ZDUSSCGKSA-N 2 2 343.387 2.160 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000593968999 468448021 /nfs/dbraw/zinc/44/80/21/468448021.db2.gz WHIYVCAYLXFTPF-CYBMUJFWSA-N 2 2 343.387 2.065 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000593968999 468448025 /nfs/dbraw/zinc/44/80/25/468448025.db2.gz WHIYVCAYLXFTPF-CYBMUJFWSA-N 2 2 343.387 2.065 20 5 EEBDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)[nH+]1 ZINC000365843981 466959479 /nfs/dbraw/zinc/95/94/79/466959479.db2.gz SBOBUBRLDYLKFL-AWEZNQCLSA-N 2 2 330.392 2.071 20 5 EEBDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)[nH+]1 ZINC000365843981 466959483 /nfs/dbraw/zinc/95/94/83/466959483.db2.gz SBOBUBRLDYLKFL-AWEZNQCLSA-N 2 2 330.392 2.071 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449395885 467638674 /nfs/dbraw/zinc/63/86/74/467638674.db2.gz JVQDNRSGAUZDDA-JMPLCFMRSA-N 2 2 333.432 2.435 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449395885 467638678 /nfs/dbraw/zinc/63/86/78/467638678.db2.gz JVQDNRSGAUZDDA-JMPLCFMRSA-N 2 2 333.432 2.435 20 5 EEBDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000598994829 469080998 /nfs/dbraw/zinc/08/09/98/469080998.db2.gz TYZKKXGZOAMMIC-ZDUSSCGKSA-N 2 2 335.404 2.188 20 5 EEBDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000598994829 469081001 /nfs/dbraw/zinc/08/10/01/469081001.db2.gz TYZKKXGZOAMMIC-ZDUSSCGKSA-N 2 2 335.404 2.188 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593733953 469114843 /nfs/dbraw/zinc/11/48/43/469114843.db2.gz OYRCSIYVKWYECI-MLGOLLRUSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593733953 469114846 /nfs/dbraw/zinc/11/48/46/469114846.db2.gz OYRCSIYVKWYECI-MLGOLLRUSA-N 2 2 334.420 2.291 20 5 EEBDLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000593735082 469116372 /nfs/dbraw/zinc/11/63/72/469116372.db2.gz XZJMSIHPUOZLRL-GUYCJALGSA-N 2 2 343.387 2.206 20 5 EEBDLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000593735082 469116377 /nfs/dbraw/zinc/11/63/77/469116377.db2.gz XZJMSIHPUOZLRL-GUYCJALGSA-N 2 2 343.387 2.206 20 5 EEBDLP C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593734046 469116832 /nfs/dbraw/zinc/11/68/32/469116832.db2.gz SBMFPFJUWLFYMW-CZUORRHYSA-N 2 2 334.420 2.007 20 5 EEBDLP C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593734046 469116839 /nfs/dbraw/zinc/11/68/39/469116839.db2.gz SBMFPFJUWLFYMW-CZUORRHYSA-N 2 2 334.420 2.007 20 5 EEBDLP Cc1[nH+]c(N)ccc1CNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001167787032 770266790 /nfs/dbraw/zinc/26/67/90/770266790.db2.gz POFCMONETYFKJB-UHFFFAOYSA-N 2 2 327.388 2.480 20 5 EEBDLP Cc1[nH+]c(N)ccc1CNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001167787032 770266796 /nfs/dbraw/zinc/26/67/96/770266796.db2.gz POFCMONETYFKJB-UHFFFAOYSA-N 2 2 327.388 2.480 20 5 EEBDLP CCC(CC)(C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000236802516 242361538 /nfs/dbraw/zinc/36/15/38/242361538.db2.gz DJIFCEGMIKOIHR-UHFFFAOYSA-N 2 2 331.376 2.028 20 5 EEBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000422638729 314297679 /nfs/dbraw/zinc/29/76/79/314297679.db2.gz RGKCMADODZUYBY-YRGRVCCFSA-N 2 2 345.403 2.450 20 5 EEBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000422638729 314297684 /nfs/dbraw/zinc/29/76/84/314297684.db2.gz RGKCMADODZUYBY-YRGRVCCFSA-N 2 2 345.403 2.450 20 5 EEBDLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000337404094 465349626 /nfs/dbraw/zinc/34/96/26/465349626.db2.gz LUVBFSISAUERAH-INIZCTEOSA-N 2 2 349.431 2.148 20 5 EEBDLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000337404094 465349634 /nfs/dbraw/zinc/34/96/34/465349634.db2.gz LUVBFSISAUERAH-INIZCTEOSA-N 2 2 349.431 2.148 20 5 EEBDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268872872 463793750 /nfs/dbraw/zinc/79/37/50/463793750.db2.gz UXFCQHPAEAYNEW-YOEHRIQHSA-N 2 2 348.447 2.188 20 5 EEBDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268872872 463793757 /nfs/dbraw/zinc/79/37/57/463793757.db2.gz UXFCQHPAEAYNEW-YOEHRIQHSA-N 2 2 348.447 2.188 20 5 EEBDLP Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000359098399 465376032 /nfs/dbraw/zinc/37/60/32/465376032.db2.gz SUWCAKZISOLINE-OAHLLOKOSA-N 2 2 347.463 2.211 20 5 EEBDLP Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000359098399 465376037 /nfs/dbraw/zinc/37/60/37/465376037.db2.gz SUWCAKZISOLINE-OAHLLOKOSA-N 2 2 347.463 2.211 20 5 EEBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000432360625 467234255 /nfs/dbraw/zinc/23/42/55/467234255.db2.gz AWNMQLXWOSMYGN-ZDUSSCGKSA-N 2 2 325.384 2.324 20 5 EEBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000432360625 467234261 /nfs/dbraw/zinc/23/42/61/467234261.db2.gz AWNMQLXWOSMYGN-ZDUSSCGKSA-N 2 2 325.384 2.324 20 5 EEBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000420327034 467358309 /nfs/dbraw/zinc/35/83/09/467358309.db2.gz COOXRWCTLQNYMC-OCCSQVGLSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000420327034 467358313 /nfs/dbraw/zinc/35/83/13/467358313.db2.gz COOXRWCTLQNYMC-OCCSQVGLSA-N 2 2 334.420 2.291 20 5 EEBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420373928 467383394 /nfs/dbraw/zinc/38/33/94/467383394.db2.gz ZPJRXFLWBAHYGO-CYBMUJFWSA-N 2 2 331.376 2.123 20 5 EEBDLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435370252 467463141 /nfs/dbraw/zinc/46/31/41/467463141.db2.gz IFGJZFDBSDIFFP-VHSXEESVSA-N 2 2 345.346 2.374 20 5 EEBDLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435370252 467463143 /nfs/dbraw/zinc/46/31/43/467463143.db2.gz IFGJZFDBSDIFFP-VHSXEESVSA-N 2 2 345.346 2.374 20 5 EEBDLP C[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000488996699 468115799 /nfs/dbraw/zinc/11/57/99/468115799.db2.gz ZHZSJIBGGHYNDT-CQSZACIVSA-N 2 2 336.436 2.037 20 5 EEBDLP Cc1cc(N[C@H]2CC[NH2+]C23CCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000600950395 468694291 /nfs/dbraw/zinc/69/42/91/468694291.db2.gz GPPPFPMZVSGSQM-HNNXBMFYSA-N 2 2 339.399 2.479 20 5 EEBDLP Cc1c[nH+]ccc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000583651027 468734507 /nfs/dbraw/zinc/73/45/07/468734507.db2.gz FKGHLFUAQIEFTR-UHFFFAOYSA-N 2 2 341.415 2.494 20 5 EEBDLP O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000738160911 578001930 /nfs/dbraw/zinc/00/19/30/578001930.db2.gz ZWWDHBYEIFEYEU-HNNXBMFYSA-N 2 2 326.360 2.436 20 5 EEBDLP O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000738160911 578001931 /nfs/dbraw/zinc/00/19/31/578001931.db2.gz ZWWDHBYEIFEYEU-HNNXBMFYSA-N 2 2 326.360 2.436 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786813877 806910187 /nfs/dbraw/zinc/91/01/87/806910187.db2.gz NIXVOZQDYNPIPH-OUJLILQFSA-N 2 2 331.416 2.451 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000786813877 806910193 /nfs/dbraw/zinc/91/01/93/806910193.db2.gz NIXVOZQDYNPIPH-OUJLILQFSA-N 2 2 331.416 2.451 20 5 EEBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423038099 240340027 /nfs/dbraw/zinc/34/00/27/240340027.db2.gz CNMGYTNWWOOTQF-RISCZKNCSA-N 2 2 327.812 2.147 20 5 EEBDLP C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761231 242110055 /nfs/dbraw/zinc/11/00/55/242110055.db2.gz BSXSGNXFXFXPAB-NNQSOWQGSA-N 2 2 343.387 2.360 20 5 EEBDLP C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761231 242110058 /nfs/dbraw/zinc/11/00/58/242110058.db2.gz BSXSGNXFXFXPAB-NNQSOWQGSA-N 2 2 343.387 2.360 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246223374 243215980 /nfs/dbraw/zinc/21/59/80/243215980.db2.gz ZNXPUFAKZUAEHT-KBPBESRZSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246223374 243215987 /nfs/dbraw/zinc/21/59/87/243215987.db2.gz ZNXPUFAKZUAEHT-KBPBESRZSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246223374 243215992 /nfs/dbraw/zinc/21/59/92/243215992.db2.gz ZNXPUFAKZUAEHT-KBPBESRZSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246223374 243215997 /nfs/dbraw/zinc/21/59/97/243215997.db2.gz ZNXPUFAKZUAEHT-KBPBESRZSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262778973 245173979 /nfs/dbraw/zinc/17/39/79/245173979.db2.gz XINCVLWFSGHONH-TZMCWYRMSA-N 2 2 343.387 2.122 20 5 EEBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423576987 276527806 /nfs/dbraw/zinc/52/78/06/276527806.db2.gz RQZMKKUZSSQARS-QWHCGFSZSA-N 2 2 325.434 2.044 20 5 EEBDLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000365406657 466809973 /nfs/dbraw/zinc/80/99/73/466809973.db2.gz XCPSUZLWEHCTFE-RHSMWYFYSA-N 2 2 346.431 2.116 20 5 EEBDLP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000365406657 466809976 /nfs/dbraw/zinc/80/99/76/466809976.db2.gz XCPSUZLWEHCTFE-RHSMWYFYSA-N 2 2 346.431 2.116 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420325885 467357681 /nfs/dbraw/zinc/35/76/81/467357681.db2.gz BZWGGTDHPJEKDO-IUODEOHRSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420325885 467357683 /nfs/dbraw/zinc/35/76/83/467357683.db2.gz BZWGGTDHPJEKDO-IUODEOHRSA-N 2 2 334.420 2.291 20 5 EEBDLP C[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000420401781 467396173 /nfs/dbraw/zinc/39/61/73/467396173.db2.gz JKZQBJCDVBOCAS-WCQYABFASA-N 2 2 331.376 2.062 20 5 EEBDLP C[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000420401781 467396176 /nfs/dbraw/zinc/39/61/76/467396176.db2.gz JKZQBJCDVBOCAS-WCQYABFASA-N 2 2 331.376 2.062 20 5 EEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430580024 467444870 /nfs/dbraw/zinc/44/48/70/467444870.db2.gz DCXHDOGJPVBBCX-HOTGVXAUSA-N 2 2 334.420 2.005 20 5 EEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430580024 467444874 /nfs/dbraw/zinc/44/48/74/467444874.db2.gz DCXHDOGJPVBBCX-HOTGVXAUSA-N 2 2 334.420 2.005 20 5 EEBDLP CCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431069467 467491998 /nfs/dbraw/zinc/49/19/98/467491998.db2.gz LZTSEAVERPTYKZ-UHFFFAOYSA-N 2 2 334.420 2.306 20 5 EEBDLP CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431069467 467492002 /nfs/dbraw/zinc/49/20/02/467492002.db2.gz LZTSEAVERPTYKZ-UHFFFAOYSA-N 2 2 334.420 2.306 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865454 468226719 /nfs/dbraw/zinc/22/67/19/468226719.db2.gz NSUJCNMBQLOQIS-STQMWFEESA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865454 468226722 /nfs/dbraw/zinc/22/67/22/468226722.db2.gz NSUJCNMBQLOQIS-STQMWFEESA-N 2 2 343.387 2.145 20 5 EEBDLP [NH3+]C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600728248 468638360 /nfs/dbraw/zinc/63/83/60/468638360.db2.gz SQJPCFVERBGXPT-FZMZJTMJSA-N 2 2 347.337 2.433 20 5 EEBDLP [NH3+]C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600728248 468638364 /nfs/dbraw/zinc/63/83/64/468638364.db2.gz SQJPCFVERBGXPT-FZMZJTMJSA-N 2 2 347.337 2.433 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471225 468705735 /nfs/dbraw/zinc/70/57/35/468705735.db2.gz MYNDCJNSDDAEQZ-UHFFFAOYSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471225 468705738 /nfs/dbraw/zinc/70/57/38/468705738.db2.gz MYNDCJNSDDAEQZ-UHFFFAOYSA-N 2 2 332.404 2.058 20 5 EEBDLP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000598994241 469080982 /nfs/dbraw/zinc/08/09/82/469080982.db2.gz HAFRWBPWJPLHFC-ZDUSSCGKSA-N 2 2 337.420 2.434 20 5 EEBDLP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000598994241 469080986 /nfs/dbraw/zinc/08/09/86/469080986.db2.gz HAFRWBPWJPLHFC-ZDUSSCGKSA-N 2 2 337.420 2.434 20 5 EEBDLP COc1c(O)ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000894496805 682931022 /nfs/dbraw/zinc/93/10/22/682931022.db2.gz QWFRLEIRIZLJPN-OCCSQVGLSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000894496805 682931025 /nfs/dbraw/zinc/93/10/25/682931025.db2.gz QWFRLEIRIZLJPN-OCCSQVGLSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000894496805 682931028 /nfs/dbraw/zinc/93/10/28/682931028.db2.gz QWFRLEIRIZLJPN-OCCSQVGLSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000894496805 682931030 /nfs/dbraw/zinc/93/10/30/682931030.db2.gz QWFRLEIRIZLJPN-OCCSQVGLSA-N 2 2 335.404 2.225 20 5 EEBDLP O=[N+]([O-])c1ccn(CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC000880569257 1201525190 /nfs/dbraw/zinc/52/51/90/1201525190.db2.gz KGAVBRCHFXBOFI-HNNXBMFYSA-N 2 2 326.360 2.019 20 5 EEBDLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979034 1297889808 /nfs/dbraw/zinc/88/98/08/1297889808.db2.gz GZWAWKVOKAECPV-AWEZNQCLSA-N 2 2 332.367 2.015 20 5 EEBDLP CC[N@H+](CC[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001307530542 1331539696 /nfs/dbraw/zinc/53/96/96/1331539696.db2.gz ZBMWXQAODCNCOE-UHFFFAOYSA-N 2 2 335.452 2.476 20 5 EEBDLP CC[N@@H+](CC[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001307530542 1331539698 /nfs/dbraw/zinc/53/96/98/1331539698.db2.gz ZBMWXQAODCNCOE-UHFFFAOYSA-N 2 2 335.452 2.476 20 5 EEBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001173221963 797303044 /nfs/dbraw/zinc/30/30/44/797303044.db2.gz RNAAXHUDBXLSSR-HOCLYGCPSA-N 2 2 333.432 2.369 20 5 EEBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001173221963 797303048 /nfs/dbraw/zinc/30/30/48/797303048.db2.gz RNAAXHUDBXLSSR-HOCLYGCPSA-N 2 2 333.432 2.369 20 5 EEBDLP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000174862012 529939480 /nfs/dbraw/zinc/93/94/80/529939480.db2.gz CQUWSHJHEPAXBR-UHFFFAOYSA-N 2 2 343.431 2.388 20 5 EEBDLP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000174862012 529939481 /nfs/dbraw/zinc/93/94/81/529939481.db2.gz CQUWSHJHEPAXBR-UHFFFAOYSA-N 2 2 343.431 2.388 20 5 EEBDLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000109794367 159352652 /nfs/dbraw/zinc/35/26/52/159352652.db2.gz SVESUEMMKWBLTJ-UHFFFAOYSA-N 2 2 343.387 2.457 20 5 EEBDLP CCOc1cccc(NCC[NH+]2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000184131220 160000448 /nfs/dbraw/zinc/00/04/48/160000448.db2.gz PSWKJIWWZNOEAF-UHFFFAOYSA-N 2 2 336.436 2.431 20 5 EEBDLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000246954903 160302912 /nfs/dbraw/zinc/30/29/12/160302912.db2.gz CEWMGCHOJRQECM-CZUORRHYSA-N 2 2 343.387 2.313 20 5 EEBDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000246954903 160302914 /nfs/dbraw/zinc/30/29/14/160302914.db2.gz CEWMGCHOJRQECM-CZUORRHYSA-N 2 2 343.387 2.313 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247006745 160305548 /nfs/dbraw/zinc/30/55/48/160305548.db2.gz PWTOOYZTJQYGDL-WMLDXEAASA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247006745 160305550 /nfs/dbraw/zinc/30/55/50/160305550.db2.gz PWTOOYZTJQYGDL-WMLDXEAASA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247006745 160305552 /nfs/dbraw/zinc/30/55/52/160305552.db2.gz PWTOOYZTJQYGDL-WMLDXEAASA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247006745 160305553 /nfs/dbraw/zinc/30/55/53/160305553.db2.gz PWTOOYZTJQYGDL-WMLDXEAASA-N 2 2 346.431 2.258 20 5 EEBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423576988 276527936 /nfs/dbraw/zinc/52/79/36/276527936.db2.gz RQZMKKUZSSQARS-STQMWFEESA-N 2 2 325.434 2.044 20 5 EEBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000422638728 314297484 /nfs/dbraw/zinc/29/74/84/314297484.db2.gz RGKCMADODZUYBY-MBNYWOFBSA-N 2 2 345.403 2.450 20 5 EEBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000422638728 314297487 /nfs/dbraw/zinc/29/74/87/314297487.db2.gz RGKCMADODZUYBY-MBNYWOFBSA-N 2 2 345.403 2.450 20 5 EEBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437078704 315024941 /nfs/dbraw/zinc/02/49/41/315024941.db2.gz OAXANYZMNVNHJT-ZDUSSCGKSA-N 2 2 334.420 2.386 20 5 EEBDLP CCC([NH3+])(CC)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000160411468 463335673 /nfs/dbraw/zinc/33/56/73/463335673.db2.gz DWOMOERCOVWOKN-UHFFFAOYSA-N 2 2 331.376 2.028 20 5 EEBDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268872871 463792732 /nfs/dbraw/zinc/79/27/32/463792732.db2.gz UXFCQHPAEAYNEW-PBHICJAKSA-N 2 2 348.447 2.188 20 5 EEBDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268872871 463792738 /nfs/dbraw/zinc/79/27/38/463792738.db2.gz UXFCQHPAEAYNEW-PBHICJAKSA-N 2 2 348.447 2.188 20 5 EEBDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)c1 ZINC000283644367 463957680 /nfs/dbraw/zinc/95/76/80/463957680.db2.gz SUQIZMTYBPGBAZ-UHFFFAOYSA-N 2 2 346.362 2.460 20 5 EEBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000361261438 465869664 /nfs/dbraw/zinc/86/96/64/465869664.db2.gz DNCUFUKPYDSGLH-WBMJQRKESA-N 2 2 329.404 2.387 20 5 EEBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000361261438 465869670 /nfs/dbraw/zinc/86/96/70/465869670.db2.gz DNCUFUKPYDSGLH-WBMJQRKESA-N 2 2 329.404 2.387 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000361261438 465869676 /nfs/dbraw/zinc/86/96/76/465869676.db2.gz DNCUFUKPYDSGLH-WBMJQRKESA-N 2 2 329.404 2.387 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000361261438 465869681 /nfs/dbraw/zinc/86/96/81/465869681.db2.gz DNCUFUKPYDSGLH-WBMJQRKESA-N 2 2 329.404 2.387 20 5 EEBDLP CCOc1cc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000340700684 466276538 /nfs/dbraw/zinc/27/65/38/466276538.db2.gz QAEWEMMTTVYDKW-SFHVURJKSA-N 2 2 348.447 2.115 20 5 EEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420294351 467342170 /nfs/dbraw/zinc/34/21/70/467342170.db2.gz SNALTMQFDPTQND-ZDUSSCGKSA-N 2 2 342.827 2.492 20 5 EEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420294351 467342173 /nfs/dbraw/zinc/34/21/73/467342173.db2.gz SNALTMQFDPTQND-ZDUSSCGKSA-N 2 2 342.827 2.492 20 5 EEBDLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592487890 468709490 /nfs/dbraw/zinc/70/94/90/468709490.db2.gz ANCJCRWGZGTLFG-MJBXVCDLSA-N 2 2 334.420 2.289 20 5 EEBDLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592487890 468709493 /nfs/dbraw/zinc/70/94/93/468709493.db2.gz ANCJCRWGZGTLFG-MJBXVCDLSA-N 2 2 334.420 2.289 20 5 EEBDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595094090 468757487 /nfs/dbraw/zinc/75/74/87/468757487.db2.gz CHYSKKVVHKJWEC-DZGCQCFKSA-N 2 2 334.420 2.386 20 5 EEBDLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595094090 468757492 /nfs/dbraw/zinc/75/74/92/468757492.db2.gz CHYSKKVVHKJWEC-DZGCQCFKSA-N 2 2 334.420 2.386 20 5 EEBDLP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000603433994 469395126 /nfs/dbraw/zinc/39/51/26/469395126.db2.gz OGQKPFLULYEQPU-CHWSQXEVSA-N 2 2 345.346 2.420 20 5 EEBDLP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173891773 527836136 /nfs/dbraw/zinc/83/61/36/527836136.db2.gz LFZKMBSFWFVMJS-CQSZACIVSA-N 2 2 337.420 2.256 20 5 EEBDLP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173891773 527836140 /nfs/dbraw/zinc/83/61/40/527836140.db2.gz LFZKMBSFWFVMJS-CQSZACIVSA-N 2 2 337.420 2.256 20 5 EEBDLP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173891773 527836143 /nfs/dbraw/zinc/83/61/43/527836143.db2.gz LFZKMBSFWFVMJS-CQSZACIVSA-N 2 2 337.420 2.256 20 5 EEBDLP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173891773 527836149 /nfs/dbraw/zinc/83/61/49/527836149.db2.gz LFZKMBSFWFVMJS-CQSZACIVSA-N 2 2 337.420 2.256 20 5 EEBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764889973 577490268 /nfs/dbraw/zinc/49/02/68/577490268.db2.gz RJDUVVKOQLOHGM-AWEZNQCLSA-N 2 2 329.404 2.438 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC12CCOCC2 ZINC000843125416 1315849280 /nfs/dbraw/zinc/84/92/80/1315849280.db2.gz VYRZHANUVKJAQY-CYBMUJFWSA-N 2 2 339.823 2.436 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC12CCOCC2 ZINC000843125416 1315849282 /nfs/dbraw/zinc/84/92/82/1315849282.db2.gz VYRZHANUVKJAQY-CYBMUJFWSA-N 2 2 339.823 2.436 20 5 EEBDLP C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C[NH3+] ZINC000843351110 1315896521 /nfs/dbraw/zinc/89/65/21/1315896521.db2.gz GYPQEBUZLLRMCQ-NHYWBVRUSA-N 2 2 338.383 2.122 20 5 EEBDLP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1C[NH3+] ZINC000843351110 1315896523 /nfs/dbraw/zinc/89/65/23/1315896523.db2.gz GYPQEBUZLLRMCQ-NHYWBVRUSA-N 2 2 338.383 2.122 20 5 EEBDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000245411736 160233428 /nfs/dbraw/zinc/23/34/28/160233428.db2.gz YFKFNUYMWVZWCP-CVEARBPZSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000245411736 160233429 /nfs/dbraw/zinc/23/34/29/160233429.db2.gz YFKFNUYMWVZWCP-CVEARBPZSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000245411736 160233431 /nfs/dbraw/zinc/23/34/31/160233431.db2.gz YFKFNUYMWVZWCP-CVEARBPZSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000245411736 160233432 /nfs/dbraw/zinc/23/34/32/160233432.db2.gz YFKFNUYMWVZWCP-CVEARBPZSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@@H]1C[N@H+](CCCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000413257734 467198894 /nfs/dbraw/zinc/19/88/94/467198894.db2.gz DBPBYNVFWPTUNY-CQSZACIVSA-N 2 2 344.415 3.056 20 5 EEBDLP C[C@@H]1C[N@@H+](CCCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000413257734 467198899 /nfs/dbraw/zinc/19/88/99/467198899.db2.gz DBPBYNVFWPTUNY-CQSZACIVSA-N 2 2 344.415 3.056 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420353202 467374225 /nfs/dbraw/zinc/37/42/25/467374225.db2.gz BJMNHFQEHYPHFV-CQSZACIVSA-N 2 2 334.420 2.339 20 5 EEBDLP C[NH2+]C[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430579727 467445249 /nfs/dbraw/zinc/44/52/49/467445249.db2.gz CSQWLVXYSFRZRV-OAHLLOKOSA-N 2 2 330.388 2.476 20 5 EEBDLP C[NH2+]C[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430579727 467445254 /nfs/dbraw/zinc/44/52/54/467445254.db2.gz CSQWLVXYSFRZRV-OAHLLOKOSA-N 2 2 330.388 2.476 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000559542094 468744929 /nfs/dbraw/zinc/74/49/29/468744929.db2.gz OATZGLAJAWMQTF-ZDUSSCGKSA-N 2 2 343.387 2.146 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157372 469898700 /nfs/dbraw/zinc/89/87/00/469898700.db2.gz GSUDEEZRZBQDAW-CZUORRHYSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157372 469898705 /nfs/dbraw/zinc/89/87/05/469898705.db2.gz GSUDEEZRZBQDAW-CZUORRHYSA-N 2 2 343.387 2.455 20 5 EEBDLP C[NH+](C)C[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000738225782 578004633 /nfs/dbraw/zinc/00/46/33/578004633.db2.gz UFJGPLBBBPGNJO-CQSZACIVSA-N 2 2 329.404 2.299 20 5 EEBDLP C[NH+](C)C[C@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000738225782 578004634 /nfs/dbraw/zinc/00/46/34/578004634.db2.gz UFJGPLBBBPGNJO-CQSZACIVSA-N 2 2 329.404 2.299 20 5 EEBDLP Cc1cc(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC001579624230 1344400396 /nfs/dbraw/zinc/40/03/96/1344400396.db2.gz QYMWYRNGABVNNZ-QGZVFWFLSA-N 2 2 339.355 2.364 20 5 EEBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069805411 159031071 /nfs/dbraw/zinc/03/10/71/159031071.db2.gz CJZJNHHLIDVPNY-MRXNPFEDSA-N 2 2 349.431 2.018 20 5 EEBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069805411 159031073 /nfs/dbraw/zinc/03/10/73/159031073.db2.gz CJZJNHHLIDVPNY-MRXNPFEDSA-N 2 2 349.431 2.018 20 5 EEBDLP COc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c([N+](=O)[O-])cc1O ZINC000376714973 167380873 /nfs/dbraw/zinc/38/08/73/167380873.db2.gz HYEVEXKZWIQBRL-UHFFFAOYSA-N 2 2 332.360 2.132 20 5 EEBDLP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000290548470 275217285 /nfs/dbraw/zinc/21/72/85/275217285.db2.gz AQRZZWQMTXNUEM-GFCCVEGCSA-N 2 2 348.230 2.448 20 5 EEBDLP Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000181094849 323339506 /nfs/dbraw/zinc/33/95/06/323339506.db2.gz SNDXMXQIGHRNJP-CQSZACIVSA-N 2 2 345.403 2.449 20 5 EEBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000181094849 323339508 /nfs/dbraw/zinc/33/95/08/323339508.db2.gz SNDXMXQIGHRNJP-CQSZACIVSA-N 2 2 345.403 2.449 20 5 EEBDLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000355201555 465233016 /nfs/dbraw/zinc/23/30/16/465233016.db2.gz BGSRYUUMNHZPHH-RLFYNMQTSA-N 2 2 349.431 2.287 20 5 EEBDLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000355201555 465233020 /nfs/dbraw/zinc/23/30/20/465233020.db2.gz BGSRYUUMNHZPHH-RLFYNMQTSA-N 2 2 349.431 2.287 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285580041 464616906 /nfs/dbraw/zinc/61/69/06/464616906.db2.gz TWYAHYJHDWRLCF-MZBDJJRSSA-N 2 2 346.431 2.399 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285580041 464616910 /nfs/dbraw/zinc/61/69/10/464616910.db2.gz TWYAHYJHDWRLCF-MZBDJJRSSA-N 2 2 346.431 2.399 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285580041 464616914 /nfs/dbraw/zinc/61/69/14/464616914.db2.gz TWYAHYJHDWRLCF-MZBDJJRSSA-N 2 2 346.431 2.399 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285580041 464616918 /nfs/dbraw/zinc/61/69/18/464616918.db2.gz TWYAHYJHDWRLCF-MZBDJJRSSA-N 2 2 346.431 2.399 20 5 EEBDLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000266920099 464871297 /nfs/dbraw/zinc/87/12/97/464871297.db2.gz LUCOONYQWSLSFN-LBPRGKRZSA-N 2 2 329.360 2.136 20 5 EEBDLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000266920099 464871305 /nfs/dbraw/zinc/87/13/05/464871305.db2.gz LUCOONYQWSLSFN-LBPRGKRZSA-N 2 2 329.360 2.136 20 5 EEBDLP C[C@H]1C[NH+](CCCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000413037192 467158933 /nfs/dbraw/zinc/15/89/33/467158933.db2.gz FNSUBNILCUXJHV-KBPBESRZSA-N 2 2 344.415 3.054 20 5 EEBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncc(C)cc3[N+](=O)[O-])CC2)CC1 ZINC000420631594 467438512 /nfs/dbraw/zinc/43/85/12/467438512.db2.gz VLIBYLCELZWHQG-UHFFFAOYSA-N 2 2 347.463 2.295 20 5 EEBDLP CC[NH+]1CCC([N@H+]2CCCN(c3ncc(C)cc3[N+](=O)[O-])CC2)CC1 ZINC000420631594 467438514 /nfs/dbraw/zinc/43/85/14/467438514.db2.gz VLIBYLCELZWHQG-UHFFFAOYSA-N 2 2 347.463 2.295 20 5 EEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430580021 467445670 /nfs/dbraw/zinc/44/56/70/467445670.db2.gz DCXHDOGJPVBBCX-CVEARBPZSA-N 2 2 334.420 2.005 20 5 EEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430580021 467445673 /nfs/dbraw/zinc/44/56/73/467445673.db2.gz DCXHDOGJPVBBCX-CVEARBPZSA-N 2 2 334.420 2.005 20 5 EEBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430591355 467447677 /nfs/dbraw/zinc/44/76/77/467447677.db2.gz AQZVZUQVBAYDOD-GFCCVEGCSA-N 2 2 342.827 2.492 20 5 EEBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430591355 467447678 /nfs/dbraw/zinc/44/76/78/467447678.db2.gz AQZVZUQVBAYDOD-GFCCVEGCSA-N 2 2 342.827 2.492 20 5 EEBDLP CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000435624341 467481827 /nfs/dbraw/zinc/48/18/27/467481827.db2.gz JDRSXBQYSNEDTP-HNNXBMFYSA-N 2 2 334.420 2.022 20 5 EEBDLP CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000435624341 467481833 /nfs/dbraw/zinc/48/18/33/467481833.db2.gz JDRSXBQYSNEDTP-HNNXBMFYSA-N 2 2 334.420 2.022 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000601099967 468740876 /nfs/dbraw/zinc/74/08/76/468740876.db2.gz CDVXIPYFFOSANU-OAHLLOKOSA-N 2 2 342.399 2.444 20 5 EEBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595097186 468758708 /nfs/dbraw/zinc/75/87/08/468758708.db2.gz RUCFNYYDKIESBW-HIFRSBDPSA-N 2 2 334.420 2.386 20 5 EEBDLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595097186 468758709 /nfs/dbraw/zinc/75/87/09/468758709.db2.gz RUCFNYYDKIESBW-HIFRSBDPSA-N 2 2 334.420 2.386 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595472321 468866528 /nfs/dbraw/zinc/86/65/28/468866528.db2.gz KXCLCJPMMIGCID-MRXNPFEDSA-N 2 2 349.431 2.290 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595472321 468866532 /nfs/dbraw/zinc/86/65/32/468866532.db2.gz KXCLCJPMMIGCID-MRXNPFEDSA-N 2 2 349.431 2.290 20 5 EEBDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181817603 529132150 /nfs/dbraw/zinc/13/21/50/529132150.db2.gz QCLKIATUZHSLPS-GJZGRUSLSA-N 2 2 348.447 2.106 20 5 EEBDLP Cc1nn(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501832 577557096 /nfs/dbraw/zinc/55/70/96/577557096.db2.gz XCVAQDISXBFMIP-CJNGLKHVSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501832 577557097 /nfs/dbraw/zinc/55/70/97/577557097.db2.gz XCVAQDISXBFMIP-CJNGLKHVSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501832 577557098 /nfs/dbraw/zinc/55/70/98/577557098.db2.gz XCVAQDISXBFMIP-CJNGLKHVSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501832 577557099 /nfs/dbraw/zinc/55/70/99/577557099.db2.gz XCVAQDISXBFMIP-CJNGLKHVSA-N 2 2 344.419 2.022 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000755790402 577831494 /nfs/dbraw/zinc/83/14/94/577831494.db2.gz OBIJIQXZIRQVPM-GFCCVEGCSA-N 2 2 326.360 2.125 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000755790402 577831495 /nfs/dbraw/zinc/83/14/95/577831495.db2.gz OBIJIQXZIRQVPM-GFCCVEGCSA-N 2 2 326.360 2.125 20 5 EEBDLP C[NH+](C)C1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[NH+](C)CC1 ZINC001164211042 1321318650 /nfs/dbraw/zinc/31/86/50/1321318650.db2.gz LCBFGYFVXLOOSC-UHFFFAOYSA-N 2 2 347.463 2.307 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1F ZINC001173180874 797278809 /nfs/dbraw/zinc/27/88/09/797278809.db2.gz YQSOIDANSDAYIO-RYUDHWBXSA-N 2 2 325.384 2.357 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1F ZINC001173180874 797278816 /nfs/dbraw/zinc/27/88/16/797278816.db2.gz YQSOIDANSDAYIO-RYUDHWBXSA-N 2 2 325.384 2.357 20 5 EEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664077 159238345 /nfs/dbraw/zinc/23/83/45/159238345.db2.gz GHOZQYHWDLAGPK-LLCTXKFZSA-N 2 2 331.416 2.262 20 5 EEBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664077 159238347 /nfs/dbraw/zinc/23/83/47/159238347.db2.gz GHOZQYHWDLAGPK-LLCTXKFZSA-N 2 2 331.416 2.262 20 5 EEBDLP CN(CCCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590671018 468300553 /nfs/dbraw/zinc/30/05/53/468300553.db2.gz RFQUFWCTMKZCGY-UHFFFAOYSA-N 2 2 345.403 2.194 20 5 EEBDLP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000157295420 463117093 /nfs/dbraw/zinc/11/70/93/463117093.db2.gz FKWRFHZNCKXBDZ-MRXNPFEDSA-N 2 2 346.431 2.144 20 5 EEBDLP NC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000157295420 463117096 /nfs/dbraw/zinc/11/70/96/463117096.db2.gz FKWRFHZNCKXBDZ-MRXNPFEDSA-N 2 2 346.431 2.144 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265508208 464585058 /nfs/dbraw/zinc/58/50/58/464585058.db2.gz QRVLRGZHCTYDQA-ZIAGYGMSSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265508208 464585064 /nfs/dbraw/zinc/58/50/64/464585064.db2.gz QRVLRGZHCTYDQA-ZIAGYGMSSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265508208 464585068 /nfs/dbraw/zinc/58/50/68/464585068.db2.gz QRVLRGZHCTYDQA-ZIAGYGMSSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265508208 464585072 /nfs/dbraw/zinc/58/50/72/464585072.db2.gz QRVLRGZHCTYDQA-ZIAGYGMSSA-N 2 2 334.420 2.195 20 5 EEBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317854 466832264 /nfs/dbraw/zinc/83/22/64/466832264.db2.gz XNHRUVGIDKPPPI-WMZOPIPTSA-N 2 2 332.448 2.198 20 5 EEBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420376284 467383931 /nfs/dbraw/zinc/38/39/31/467383931.db2.gz UXWUKNGVYVEQCK-HFBDOXOYSA-N 2 2 340.811 2.163 20 5 EEBDLP C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000420401779 467395778 /nfs/dbraw/zinc/39/57/78/467395778.db2.gz JKZQBJCDVBOCAS-DGCLKSJQSA-N 2 2 331.376 2.062 20 5 EEBDLP C[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000420401779 467395784 /nfs/dbraw/zinc/39/57/84/467395784.db2.gz JKZQBJCDVBOCAS-DGCLKSJQSA-N 2 2 331.376 2.062 20 5 EEBDLP COc1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000415037748 467472754 /nfs/dbraw/zinc/47/27/54/467472754.db2.gz NDPQBPXNRQVRTH-HALDLXJZSA-N 2 2 329.356 2.171 20 5 EEBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)o2)cc1 ZINC000415037877 467473608 /nfs/dbraw/zinc/47/36/08/467473608.db2.gz LLVZUNCLVTXPIZ-MRXNPFEDSA-N 2 2 331.372 2.323 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430931570 467478021 /nfs/dbraw/zinc/47/80/21/467478021.db2.gz XDMDSGIGJKKJNJ-MWLCHTKSSA-N 2 2 345.346 2.374 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430931570 467478026 /nfs/dbraw/zinc/47/80/26/467478026.db2.gz XDMDSGIGJKKJNJ-MWLCHTKSSA-N 2 2 345.346 2.374 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000415116130 467494111 /nfs/dbraw/zinc/49/41/11/467494111.db2.gz VSYJWJGFMKGKQF-MRXNPFEDSA-N 2 2 331.372 2.404 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000415116130 467494113 /nfs/dbraw/zinc/49/41/13/467494113.db2.gz VSYJWJGFMKGKQF-MRXNPFEDSA-N 2 2 331.372 2.404 20 5 EEBDLP Cc1c[nH+]ccc1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000516761360 468044824 /nfs/dbraw/zinc/04/48/24/468044824.db2.gz AIIOPIYKKCOTSM-UHFFFAOYSA-N 2 2 328.372 2.459 20 5 EEBDLP Cc1cc(NC[C@H](C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488989920 468115144 /nfs/dbraw/zinc/11/51/44/468115144.db2.gz FQFFBQWHLPAZIG-LBPRGKRZSA-N 2 2 329.404 2.392 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534581011 468265533 /nfs/dbraw/zinc/26/55/33/468265533.db2.gz ZWLBAKCGLAAVHN-OLZOCXBDSA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534581011 468265536 /nfs/dbraw/zinc/26/55/36/468265536.db2.gz ZWLBAKCGLAAVHN-OLZOCXBDSA-N 2 2 343.387 2.145 20 5 EEBDLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595010508 468742646 /nfs/dbraw/zinc/74/26/46/468742646.db2.gz XCUCENRWCDSEBC-CYBMUJFWSA-N 2 2 337.420 2.365 20 5 EEBDLP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1CCO ZINC000601170454 468769182 /nfs/dbraw/zinc/76/91/82/468769182.db2.gz ARQAPNKJQJDQMX-BETUJISGSA-N 2 2 330.388 2.034 20 5 EEBDLP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1CCO ZINC000601170454 468769185 /nfs/dbraw/zinc/76/91/85/468769185.db2.gz ARQAPNKJQJDQMX-BETUJISGSA-N 2 2 330.388 2.034 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388287 468834960 /nfs/dbraw/zinc/83/49/60/468834960.db2.gz FSWWVAFQCGNIPM-BFYDXBDKSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388287 468834964 /nfs/dbraw/zinc/83/49/64/468834964.db2.gz FSWWVAFQCGNIPM-BFYDXBDKSA-N 2 2 337.395 2.417 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718721 469020126 /nfs/dbraw/zinc/02/01/26/469020126.db2.gz UZWKWMQGBPVINF-INIZCTEOSA-N 2 2 349.431 2.290 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718721 469020132 /nfs/dbraw/zinc/02/01/32/469020132.db2.gz UZWKWMQGBPVINF-INIZCTEOSA-N 2 2 349.431 2.290 20 5 EEBDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074397 577986714 /nfs/dbraw/zinc/98/67/14/577986714.db2.gz YFTNBGPJXKHZFK-QAPCUYQASA-N 2 2 333.432 2.292 20 5 EEBDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074397 577986715 /nfs/dbraw/zinc/98/67/15/577986715.db2.gz YFTNBGPJXKHZFK-QAPCUYQASA-N 2 2 333.432 2.292 20 5 EEBDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074397 577986716 /nfs/dbraw/zinc/98/67/16/577986716.db2.gz YFTNBGPJXKHZFK-QAPCUYQASA-N 2 2 333.432 2.292 20 5 EEBDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074397 577986717 /nfs/dbraw/zinc/98/67/17/577986717.db2.gz YFTNBGPJXKHZFK-QAPCUYQASA-N 2 2 333.432 2.292 20 5 EEBDLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000247080673 1213614043 /nfs/dbraw/zinc/61/40/43/1213614043.db2.gz WPKHVQAGCLCTIG-XJKSGUPXSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000247080673 1213614045 /nfs/dbraw/zinc/61/40/45/1213614045.db2.gz WPKHVQAGCLCTIG-XJKSGUPXSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000247080673 1213614047 /nfs/dbraw/zinc/61/40/47/1213614047.db2.gz WPKHVQAGCLCTIG-XJKSGUPXSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000247080673 1213614051 /nfs/dbraw/zinc/61/40/51/1213614051.db2.gz WPKHVQAGCLCTIG-XJKSGUPXSA-N 2 2 329.404 2.318 20 5 EEBDLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000843367319 1315901746 /nfs/dbraw/zinc/90/17/46/1315901746.db2.gz FSHCTKBIPQWZRX-SECBINFHSA-N 2 2 326.784 2.046 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000353441315 162564412 /nfs/dbraw/zinc/56/44/12/162564412.db2.gz MKWKMYCVMXMJHD-MRXNPFEDSA-N 2 2 340.387 2.294 20 5 EEBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000279623439 269295357 /nfs/dbraw/zinc/29/53/57/269295357.db2.gz BCKFJCAOIJVPQY-AWEZNQCLSA-N 2 2 332.404 2.163 20 5 EEBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000279623439 269295359 /nfs/dbraw/zinc/29/53/59/269295359.db2.gz BCKFJCAOIJVPQY-AWEZNQCLSA-N 2 2 332.404 2.163 20 5 EEBDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344206081 277564292 /nfs/dbraw/zinc/56/42/92/277564292.db2.gz DUJJPKWXXKGQOE-LBPRGKRZSA-N 2 2 327.812 2.449 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC[NH+](CC4CC4)CC3)nc2c1 ZINC000565931740 319227053 /nfs/dbraw/zinc/22/70/53/319227053.db2.gz OEAVWMNUTOPILS-UHFFFAOYSA-N 2 2 329.404 2.435 20 5 EEBDLP Cn1cc(C[NH2+]CC[NH+]2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171049092 463768547 /nfs/dbraw/zinc/76/85/47/463768547.db2.gz ZMPAVOOYCDNIPX-UHFFFAOYSA-N 2 2 329.404 2.181 20 5 EEBDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000269760141 464085005 /nfs/dbraw/zinc/08/50/05/464085005.db2.gz APJXJFHMBCHORS-QGZVFWFLSA-N 2 2 333.388 2.257 20 5 EEBDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862530 464459716 /nfs/dbraw/zinc/45/97/16/464459716.db2.gz YFKFNUYMWVZWCP-HZPDHXFCSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862530 464459719 /nfs/dbraw/zinc/45/97/19/464459719.db2.gz YFKFNUYMWVZWCP-HZPDHXFCSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862530 464459722 /nfs/dbraw/zinc/45/97/22/464459722.db2.gz YFKFNUYMWVZWCP-HZPDHXFCSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862530 464459726 /nfs/dbraw/zinc/45/97/26/464459726.db2.gz YFKFNUYMWVZWCP-HZPDHXFCSA-N 2 2 335.452 2.378 20 5 EEBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H](O)C[NH+]3CCCCC3)c2c1 ZINC000413053557 467161698 /nfs/dbraw/zinc/16/16/98/467161698.db2.gz KBZWPFNQNDYSQI-OAHLLOKOSA-N 2 2 330.388 2.402 20 5 EEBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420376278 467384001 /nfs/dbraw/zinc/38/40/01/467384001.db2.gz UXWUKNGVYVEQCK-FCHSOHFDSA-N 2 2 340.811 2.163 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430931569 467477971 /nfs/dbraw/zinc/47/79/71/467477971.db2.gz XDMDSGIGJKKJNJ-KOLCDFICSA-N 2 2 345.346 2.374 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430931569 467477975 /nfs/dbraw/zinc/47/79/75/467477975.db2.gz XDMDSGIGJKKJNJ-KOLCDFICSA-N 2 2 345.346 2.374 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000601131401 468755320 /nfs/dbraw/zinc/75/53/20/468755320.db2.gz JPYACCBADOYKMY-CQSZACIVSA-N 2 2 328.372 2.054 20 5 EEBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181817581 529130448 /nfs/dbraw/zinc/13/04/48/529130448.db2.gz QCLKIATUZHSLPS-LSDHHAIUSA-N 2 2 348.447 2.106 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000774822287 577419456 /nfs/dbraw/zinc/41/94/56/577419456.db2.gz ZXPACQIOYZZQQQ-UHFFFAOYSA-N 2 2 343.343 2.220 20 5 EEBDLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000247074966 1213598526 /nfs/dbraw/zinc/59/85/26/1213598526.db2.gz WDJKSNUTAHGBSF-HOCLYGCPSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000247074966 1213598529 /nfs/dbraw/zinc/59/85/29/1213598529.db2.gz WDJKSNUTAHGBSF-HOCLYGCPSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000247074966 1213598532 /nfs/dbraw/zinc/59/85/32/1213598532.db2.gz WDJKSNUTAHGBSF-HOCLYGCPSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000247074966 1213598535 /nfs/dbraw/zinc/59/85/35/1213598535.db2.gz WDJKSNUTAHGBSF-HOCLYGCPSA-N 2 2 329.404 2.318 20 5 EEBDLP C[C@H](C[N+](C)(C)C)Oc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226706928 1301516950 /nfs/dbraw/zinc/51/69/50/1301516950.db2.gz QWKLNBJAPUCWPQ-OAHLLOKOSA-N 2 2 329.468 2.442 20 5 EEBDLP C[C@H](C[N+](C)(C)C)Oc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226706928 1301516958 /nfs/dbraw/zinc/51/69/58/1301516958.db2.gz QWKLNBJAPUCWPQ-OAHLLOKOSA-N 2 2 329.468 2.442 20 5 EEBDLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1 ZINC001158261938 1319123581 /nfs/dbraw/zinc/12/35/81/1319123581.db2.gz PSTRYUIPWJXTCZ-AWEZNQCLSA-N 2 2 341.415 2.145 20 5 EEBDLP [NH3+][C@H]1CC[N@H+](C2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1 ZINC001158261938 1319123589 /nfs/dbraw/zinc/12/35/89/1319123589.db2.gz PSTRYUIPWJXTCZ-AWEZNQCLSA-N 2 2 341.415 2.145 20 5 EEBDLP CCC1([NH3+])CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC001577228110 1344110682 /nfs/dbraw/zinc/11/06/82/1344110682.db2.gz XISHQKBMNKOCCN-UHFFFAOYSA-N 2 2 343.387 2.124 20 5 EEBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000818339972 785246164 /nfs/dbraw/zinc/24/61/64/785246164.db2.gz GRQLYJRNLINUKA-VXGBXAGGSA-N 2 2 326.784 2.046 20 5 EEBDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022221 803588211 /nfs/dbraw/zinc/58/82/11/803588211.db2.gz QTRMHRQVIZCSEW-LSDHHAIUSA-N 2 2 349.479 2.329 20 5 EEBDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169022221 803588215 /nfs/dbraw/zinc/58/82/15/803588215.db2.gz QTRMHRQVIZCSEW-LSDHHAIUSA-N 2 2 349.479 2.329 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247300374 160319333 /nfs/dbraw/zinc/31/93/33/160319333.db2.gz UQNZSOBPFIXRIX-YOEHRIQHSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247300374 160319334 /nfs/dbraw/zinc/31/93/34/160319334.db2.gz UQNZSOBPFIXRIX-YOEHRIQHSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247300374 160319336 /nfs/dbraw/zinc/31/93/36/160319336.db2.gz UQNZSOBPFIXRIX-YOEHRIQHSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247300374 160319338 /nfs/dbraw/zinc/31/93/38/160319338.db2.gz UQNZSOBPFIXRIX-YOEHRIQHSA-N 2 2 346.431 2.258 20 5 EEBDLP COc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000346642363 161387992 /nfs/dbraw/zinc/38/79/92/161387992.db2.gz CCIZIMZPZIUSBT-ZDUSSCGKSA-N 2 2 325.409 2.417 20 5 EEBDLP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000346642363 161387993 /nfs/dbraw/zinc/38/79/93/161387993.db2.gz CCIZIMZPZIUSBT-ZDUSSCGKSA-N 2 2 325.409 2.417 20 5 EEBDLP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000352534828 162176882 /nfs/dbraw/zinc/17/68/82/162176882.db2.gz JOFWDKSMEHSWBB-KRWDZBQOSA-N 2 2 335.404 2.188 20 5 EEBDLP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000352534828 162176884 /nfs/dbraw/zinc/17/68/84/162176884.db2.gz JOFWDKSMEHSWBB-KRWDZBQOSA-N 2 2 335.404 2.188 20 5 EEBDLP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000365406658 165476734 /nfs/dbraw/zinc/47/67/34/165476734.db2.gz XCPSUZLWEHCTFE-WMLDXEAASA-N 2 2 346.431 2.116 20 5 EEBDLP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000365406658 165476737 /nfs/dbraw/zinc/47/67/37/165476737.db2.gz XCPSUZLWEHCTFE-WMLDXEAASA-N 2 2 346.431 2.116 20 5 EEBDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173618962 464294714 /nfs/dbraw/zinc/29/47/14/464294714.db2.gz OHBZEGYEIDEZBV-ZDUSSCGKSA-N 2 2 334.420 2.384 20 5 EEBDLP CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372364021 466331779 /nfs/dbraw/zinc/33/17/79/466331779.db2.gz DANJMOYWFWRREQ-GOSISDBHSA-N 2 2 332.448 2.195 20 5 EEBDLP CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372364021 466331786 /nfs/dbraw/zinc/33/17/86/466331786.db2.gz DANJMOYWFWRREQ-GOSISDBHSA-N 2 2 332.448 2.195 20 5 EEBDLP [NH3+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000423972175 466932961 /nfs/dbraw/zinc/93/29/61/466932961.db2.gz ZHWQXILVNFQVPV-CQSZACIVSA-N 2 2 343.387 2.028 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[C@H]1CCC[NH2+]C1 ZINC000420197932 467320163 /nfs/dbraw/zinc/32/01/63/467320163.db2.gz LVTQHVBTGZUJRB-OAHLLOKOSA-N 2 2 348.447 2.229 20 5 EEBDLP C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000420415739 467401032 /nfs/dbraw/zinc/40/10/32/467401032.db2.gz VDXJGUJPNRZMJR-DGCLKSJQSA-N 2 2 331.376 2.062 20 5 EEBDLP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C[NH3+] ZINC000420415739 467401037 /nfs/dbraw/zinc/40/10/37/467401037.db2.gz VDXJGUJPNRZMJR-DGCLKSJQSA-N 2 2 331.376 2.062 20 5 EEBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)o2)c1 ZINC000415033803 467471790 /nfs/dbraw/zinc/47/17/90/467471790.db2.gz HFYPTRJGCXWDBP-MRXNPFEDSA-N 2 2 331.372 2.323 20 5 EEBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449062224 467616084 /nfs/dbraw/zinc/61/60/84/467616084.db2.gz YCIVQCLONJWNRP-RDJZCZTQSA-N 2 2 335.448 2.472 20 5 EEBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449062224 467616085 /nfs/dbraw/zinc/61/60/85/467616085.db2.gz YCIVQCLONJWNRP-RDJZCZTQSA-N 2 2 335.448 2.472 20 5 EEBDLP C[N@@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C[NH3+])C1 ZINC000514725534 467951230 /nfs/dbraw/zinc/95/12/30/467951230.db2.gz AETHKGLYEKCLRG-OAHLLOKOSA-N 2 2 346.456 2.398 20 5 EEBDLP C[N@H+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C[NH3+])C1 ZINC000514725534 467951232 /nfs/dbraw/zinc/95/12/32/467951232.db2.gz AETHKGLYEKCLRG-OAHLLOKOSA-N 2 2 346.456 2.398 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494430751 468055346 /nfs/dbraw/zinc/05/53/46/468055346.db2.gz BLZASQCPMNVPBG-LLVKDONJSA-N 2 2 338.314 2.497 20 5 EEBDLP CC1CC[NH+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602516238 469346760 /nfs/dbraw/zinc/34/67/60/469346760.db2.gz WTCHYEZIEDDFTG-UHFFFAOYSA-N 2 2 347.463 2.280 20 5 EEBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000247225106 675738399 /nfs/dbraw/zinc/73/83/99/675738399.db2.gz XXQMIUGUUDDDHX-GOEBONIOSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000247225106 675738401 /nfs/dbraw/zinc/73/84/01/675738401.db2.gz XXQMIUGUUDDDHX-GOEBONIOSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000247225106 675738403 /nfs/dbraw/zinc/73/84/03/675738403.db2.gz XXQMIUGUUDDDHX-GOEBONIOSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000247225106 675738405 /nfs/dbraw/zinc/73/84/05/675738405.db2.gz XXQMIUGUUDDDHX-GOEBONIOSA-N 2 2 329.404 2.318 20 5 EEBDLP COc1c(O)ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000894496806 682931161 /nfs/dbraw/zinc/93/11/61/682931161.db2.gz QWFRLEIRIZLJPN-TZMCWYRMSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000894496806 682931164 /nfs/dbraw/zinc/93/11/64/682931164.db2.gz QWFRLEIRIZLJPN-TZMCWYRMSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000894496806 682931165 /nfs/dbraw/zinc/93/11/65/682931165.db2.gz QWFRLEIRIZLJPN-TZMCWYRMSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000894496806 682931167 /nfs/dbraw/zinc/93/11/67/682931167.db2.gz QWFRLEIRIZLJPN-TZMCWYRMSA-N 2 2 335.404 2.225 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001254583997 1318133118 /nfs/dbraw/zinc/13/31/18/1318133118.db2.gz FROYETZRKMIDSL-QZTJIDSGSA-N 2 2 345.443 2.153 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001254583997 1318133122 /nfs/dbraw/zinc/13/31/22/1318133122.db2.gz FROYETZRKMIDSL-QZTJIDSGSA-N 2 2 345.443 2.153 20 5 EEBDLP CCN(C)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000348922351 144803443 /nfs/dbraw/zinc/80/34/43/144803443.db2.gz QEWTWALCQWSFHJ-UHFFFAOYSA-N 2 2 329.404 2.411 20 5 EEBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@H+]1CC=CCC1 ZINC000355528696 163221771 /nfs/dbraw/zinc/22/17/71/163221771.db2.gz HQRYMVKWQCBISN-AWEZNQCLSA-N 2 2 332.404 2.163 20 5 EEBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000355528696 163221774 /nfs/dbraw/zinc/22/17/74/163221774.db2.gz HQRYMVKWQCBISN-AWEZNQCLSA-N 2 2 332.404 2.163 20 5 EEBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360256012 164269234 /nfs/dbraw/zinc/26/92/34/164269234.db2.gz XERHTMUGOLZSEZ-KBPBESRZSA-N 2 2 335.404 2.328 20 5 EEBDLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360256012 164269236 /nfs/dbraw/zinc/26/92/36/164269236.db2.gz XERHTMUGOLZSEZ-KBPBESRZSA-N 2 2 335.404 2.328 20 5 EEBDLP Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000047675782 462814225 /nfs/dbraw/zinc/81/42/25/462814225.db2.gz ORHOZXPCZYYBDY-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000047675782 462814227 /nfs/dbraw/zinc/81/42/27/462814227.db2.gz ORHOZXPCZYYBDY-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268965980 463830153 /nfs/dbraw/zinc/83/01/53/463830153.db2.gz YJPCWPWFLBSYCV-SJORKVTESA-N 2 2 348.447 2.365 20 5 EEBDLP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268965980 463830155 /nfs/dbraw/zinc/83/01/55/463830155.db2.gz YJPCWPWFLBSYCV-SJORKVTESA-N 2 2 348.447 2.365 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000237948635 464409158 /nfs/dbraw/zinc/40/91/58/464409158.db2.gz FACAWMKSIYXKHL-GOSISDBHSA-N 2 2 341.411 2.104 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000237948635 464409161 /nfs/dbraw/zinc/40/91/61/464409161.db2.gz FACAWMKSIYXKHL-GOSISDBHSA-N 2 2 341.411 2.104 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420325883 467357647 /nfs/dbraw/zinc/35/76/47/467357647.db2.gz BZWGGTDHPJEKDO-DOMZBBRYSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420325883 467357650 /nfs/dbraw/zinc/35/76/50/467357650.db2.gz BZWGGTDHPJEKDO-DOMZBBRYSA-N 2 2 334.420 2.291 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)CCC2 ZINC000453250399 467469816 /nfs/dbraw/zinc/46/98/16/467469816.db2.gz ACUUZJPPOAULIE-FUHWJXTLSA-N 2 2 333.432 2.409 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000453250399 467469820 /nfs/dbraw/zinc/46/98/20/467469820.db2.gz ACUUZJPPOAULIE-FUHWJXTLSA-N 2 2 333.432 2.409 20 5 EEBDLP C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@H](O)C[NH3+] ZINC000415073300 467482472 /nfs/dbraw/zinc/48/24/72/467482472.db2.gz YEKQOEPDQZKHCX-CQSZACIVSA-N 2 2 349.362 2.278 20 5 EEBDLP C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C[C@H](O)C[NH3+] ZINC000415073300 467482476 /nfs/dbraw/zinc/48/24/76/467482476.db2.gz YEKQOEPDQZKHCX-CQSZACIVSA-N 2 2 349.362 2.278 20 5 EEBDLP CCC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC[NH2+]CC1 ZINC000431070801 467491682 /nfs/dbraw/zinc/49/16/82/467491682.db2.gz RNQWJMCBKYNVLW-UHFFFAOYSA-N 2 2 334.420 2.306 20 5 EEBDLP CCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC[NH2+]CC1 ZINC000431070801 467491685 /nfs/dbraw/zinc/49/16/85/467491685.db2.gz RNQWJMCBKYNVLW-UHFFFAOYSA-N 2 2 334.420 2.306 20 5 EEBDLP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448977096 467610024 /nfs/dbraw/zinc/61/00/24/467610024.db2.gz QNSPKLLQADVTGK-ZDUSSCGKSA-N 2 2 345.403 2.241 20 5 EEBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532530738 468123041 /nfs/dbraw/zinc/12/30/41/468123041.db2.gz MHFBCYZADIEQIF-KGLIPLIRSA-N 2 2 334.420 2.243 20 5 EEBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532530738 468123043 /nfs/dbraw/zinc/12/30/43/468123043.db2.gz MHFBCYZADIEQIF-KGLIPLIRSA-N 2 2 334.420 2.243 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388288 468835455 /nfs/dbraw/zinc/83/54/55/468835455.db2.gz FSWWVAFQCGNIPM-HLLBOEOZSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388288 468835458 /nfs/dbraw/zinc/83/54/58/468835458.db2.gz FSWWVAFQCGNIPM-HLLBOEOZSA-N 2 2 337.395 2.417 20 5 EEBDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602567378 469363597 /nfs/dbraw/zinc/36/35/97/469363597.db2.gz CHZJXDGSLGWVQN-GUYCJALGSA-N 2 2 345.447 2.031 20 5 EEBDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602567378 469363601 /nfs/dbraw/zinc/36/36/01/469363601.db2.gz CHZJXDGSLGWVQN-GUYCJALGSA-N 2 2 345.447 2.031 20 5 EEBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000872062214 1198037929 /nfs/dbraw/zinc/03/79/29/1198037929.db2.gz LCLUSRSLIJJIFY-ABAIWWIYSA-N 2 2 325.434 2.034 20 5 EEBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000872062214 1198037937 /nfs/dbraw/zinc/03/79/37/1198037937.db2.gz LCLUSRSLIJJIFY-ABAIWWIYSA-N 2 2 325.434 2.034 20 5 EEBDLP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C[NH3+] ZINC000843351108 1315896853 /nfs/dbraw/zinc/89/68/53/1315896853.db2.gz GYPQEBUZLLRMCQ-IAQYHMDHSA-N 2 2 338.383 2.122 20 5 EEBDLP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C[NH3+] ZINC000843351108 1315896859 /nfs/dbraw/zinc/89/68/59/1315896859.db2.gz GYPQEBUZLLRMCQ-IAQYHMDHSA-N 2 2 338.383 2.122 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579734124 1344410793 /nfs/dbraw/zinc/41/07/93/1344410793.db2.gz OOKWHSWGZVKGFC-KSSFIOAISA-N 2 2 346.431 2.293 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 ZINC001579734124 1344410795 /nfs/dbraw/zinc/41/07/95/1344410795.db2.gz OOKWHSWGZVKGFC-KSSFIOAISA-N 2 2 346.431 2.293 20 5 EEBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001168967903 803553154 /nfs/dbraw/zinc/55/31/54/803553154.db2.gz UMKJLCWSPGIYRB-MSOLQXFVSA-N 2 2 333.432 2.054 20 5 EEBDLP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000290548473 275217242 /nfs/dbraw/zinc/21/72/42/275217242.db2.gz AQRZZWQMTXNUEM-LBPRGKRZSA-N 2 2 348.230 2.448 20 5 EEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000577854486 320280105 /nfs/dbraw/zinc/28/01/05/320280105.db2.gz OKYZSKFOLAMPBT-CQSZACIVSA-N 2 2 333.432 2.482 20 5 EEBDLP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268965977 463830088 /nfs/dbraw/zinc/83/00/88/463830088.db2.gz YJPCWPWFLBSYCV-IRXDYDNUSA-N 2 2 348.447 2.365 20 5 EEBDLP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268965977 463830090 /nfs/dbraw/zinc/83/00/90/463830090.db2.gz YJPCWPWFLBSYCV-IRXDYDNUSA-N 2 2 348.447 2.365 20 5 EEBDLP Cc1[nH+]ccn1CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272499899 464634811 /nfs/dbraw/zinc/63/48/11/464634811.db2.gz GORANWSKFHECEZ-INIZCTEOSA-N 2 2 340.387 2.212 20 5 EEBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000420327031 467358933 /nfs/dbraw/zinc/35/89/33/467358933.db2.gz COOXRWCTLQNYMC-GXTWGEPZSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000420327031 467358935 /nfs/dbraw/zinc/35/89/35/467358935.db2.gz COOXRWCTLQNYMC-GXTWGEPZSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420408125 467397826 /nfs/dbraw/zinc/39/78/26/467397826.db2.gz OYRIITHTPDYWSY-XBFCOCLRSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420408125 467397830 /nfs/dbraw/zinc/39/78/30/467397830.db2.gz OYRIITHTPDYWSY-XBFCOCLRSA-N 2 2 334.420 2.147 20 5 EEBDLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430616679 467450736 /nfs/dbraw/zinc/45/07/36/467450736.db2.gz GWNWYFITQYZCSD-JTQLQIEISA-N 2 2 345.346 2.376 20 5 EEBDLP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430616679 467450740 /nfs/dbraw/zinc/45/07/40/467450740.db2.gz GWNWYFITQYZCSD-JTQLQIEISA-N 2 2 345.346 2.376 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449384972 467634703 /nfs/dbraw/zinc/63/47/03/467634703.db2.gz DARLMRLYHIZSKM-VHUCWBOISA-N 2 2 333.432 2.435 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449384972 467634704 /nfs/dbraw/zinc/63/47/04/467634704.db2.gz DARLMRLYHIZSKM-VHUCWBOISA-N 2 2 333.432 2.435 20 5 EEBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902489526 1237704141 /nfs/dbraw/zinc/70/41/41/1237704141.db2.gz QVQKDDOONDJTTE-DZGCQCFKSA-N 2 2 334.420 2.434 20 5 EEBDLP C[NH2+]CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000843349127 1315896141 /nfs/dbraw/zinc/89/61/41/1315896141.db2.gz HXFSGTIPVOVILY-UHFFFAOYSA-N 2 2 340.811 2.118 20 5 EEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001576116992 1343968435 /nfs/dbraw/zinc/96/84/35/1343968435.db2.gz CZIXPPVMYVYRGB-NWDGAFQWSA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001576116992 1343968438 /nfs/dbraw/zinc/96/84/38/1343968438.db2.gz CZIXPPVMYVYRGB-NWDGAFQWSA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246915102 160300952 /nfs/dbraw/zinc/30/09/52/160300952.db2.gz MTFYVIBNGJBYCB-KEYYUXOJSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246915102 160300953 /nfs/dbraw/zinc/30/09/53/160300953.db2.gz MTFYVIBNGJBYCB-KEYYUXOJSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246915102 160300954 /nfs/dbraw/zinc/30/09/54/160300954.db2.gz MTFYVIBNGJBYCB-KEYYUXOJSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246915102 160300955 /nfs/dbraw/zinc/30/09/55/160300955.db2.gz MTFYVIBNGJBYCB-KEYYUXOJSA-N 2 2 346.431 2.338 20 5 EEBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000158847214 463255742 /nfs/dbraw/zinc/25/57/42/463255742.db2.gz VDSIWVPGORJGLG-DYVFJYSZSA-N 2 2 347.415 2.377 20 5 EEBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000158847214 463255748 /nfs/dbraw/zinc/25/57/48/463255748.db2.gz VDSIWVPGORJGLG-DYVFJYSZSA-N 2 2 347.415 2.377 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000158847214 463255754 /nfs/dbraw/zinc/25/57/54/463255754.db2.gz VDSIWVPGORJGLG-DYVFJYSZSA-N 2 2 347.415 2.377 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000158847214 463255761 /nfs/dbraw/zinc/25/57/61/463255761.db2.gz VDSIWVPGORJGLG-DYVFJYSZSA-N 2 2 347.415 2.377 20 5 EEBDLP CCN(CCC[NH+](C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000188956316 464404183 /nfs/dbraw/zinc/40/41/83/464404183.db2.gz RVOUTYSHHBKOEA-UHFFFAOYSA-N 2 2 345.403 2.194 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NC[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591577699 468485940 /nfs/dbraw/zinc/48/59/40/468485940.db2.gz BBABGGYSYCGKDM-GOEBONIOSA-N 2 2 329.404 2.149 20 5 EEBDLP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362080235 466539755 /nfs/dbraw/zinc/53/97/55/466539755.db2.gz RJXKBXDMBGOKQG-QAPCUYQASA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362080235 466539761 /nfs/dbraw/zinc/53/97/61/466539761.db2.gz RJXKBXDMBGOKQG-QAPCUYQASA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000432360624 467233826 /nfs/dbraw/zinc/23/38/26/467233826.db2.gz AWNMQLXWOSMYGN-CYBMUJFWSA-N 2 2 325.384 2.324 20 5 EEBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000432360624 467233830 /nfs/dbraw/zinc/23/38/30/467233830.db2.gz AWNMQLXWOSMYGN-CYBMUJFWSA-N 2 2 325.384 2.324 20 5 EEBDLP CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435616197 467480937 /nfs/dbraw/zinc/48/09/37/467480937.db2.gz JPRPLPCKOQWYHM-CQSZACIVSA-N 2 2 334.420 2.306 20 5 EEBDLP CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435616197 467480943 /nfs/dbraw/zinc/48/09/43/467480943.db2.gz JPRPLPCKOQWYHM-CQSZACIVSA-N 2 2 334.420 2.306 20 5 EEBDLP CC[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1[NH3+] ZINC000592488756 468710038 /nfs/dbraw/zinc/71/00/38/468710038.db2.gz NFHPAGTVOSLCFD-SMDDNHRTSA-N 2 2 331.376 2.204 20 5 EEBDLP CC[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1[NH3+] ZINC000592488756 468710039 /nfs/dbraw/zinc/71/00/39/468710039.db2.gz NFHPAGTVOSLCFD-SMDDNHRTSA-N 2 2 331.376 2.204 20 5 EEBDLP CCOCC[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601113676 468745566 /nfs/dbraw/zinc/74/55/66/468745566.db2.gz IKWBHFADWRBLOI-UHFFFAOYSA-N 2 2 330.388 2.302 20 5 EEBDLP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CC(C)(C)O ZINC000601151256 468762673 /nfs/dbraw/zinc/76/26/73/468762673.db2.gz UUNHYMFILLMOLX-CYBMUJFWSA-N 2 2 344.415 2.424 20 5 EEBDLP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1CC(C)(C)O ZINC000601151256 468762675 /nfs/dbraw/zinc/76/26/75/468762675.db2.gz UUNHYMFILLMOLX-CYBMUJFWSA-N 2 2 344.415 2.424 20 5 EEBDLP C[NH+]1CCC([NH+]2CCC([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000602529265 469351677 /nfs/dbraw/zinc/35/16/77/469351677.db2.gz ALZSHVRHEQYETE-UHFFFAOYSA-N 3 2 346.475 2.286 20 5 EEBDLP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[N@@H+]1C1CC1 ZINC000602568234 469363501 /nfs/dbraw/zinc/36/35/01/469363501.db2.gz KAAFKHWMUMEEFJ-ZFWWWQNUSA-N 2 2 345.447 2.173 20 5 EEBDLP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[N@H+]1C1CC1 ZINC000602568234 469363503 /nfs/dbraw/zinc/36/35/03/469363503.db2.gz KAAFKHWMUMEEFJ-ZFWWWQNUSA-N 2 2 345.447 2.173 20 5 EEBDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000617867839 469827523 /nfs/dbraw/zinc/82/75/23/469827523.db2.gz LXSCKRCYIAFUAW-CQSZACIVSA-N 2 2 335.404 2.282 20 5 EEBDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000617867839 469827527 /nfs/dbraw/zinc/82/75/27/469827527.db2.gz LXSCKRCYIAFUAW-CQSZACIVSA-N 2 2 335.404 2.282 20 5 EEBDLP Cc1nn(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105881 577495036 /nfs/dbraw/zinc/49/50/36/577495036.db2.gz LSHRQSFKHGXEPI-CZUORRHYSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105881 577495037 /nfs/dbraw/zinc/49/50/37/577495037.db2.gz LSHRQSFKHGXEPI-CZUORRHYSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105881 577495038 /nfs/dbraw/zinc/49/50/38/577495038.db2.gz LSHRQSFKHGXEPI-CZUORRHYSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105881 577495039 /nfs/dbraw/zinc/49/50/39/577495039.db2.gz LSHRQSFKHGXEPI-CZUORRHYSA-N 2 2 344.419 2.022 20 5 EEBDLP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CC(C)(C)C[NH3+] ZINC000843354873 1315897876 /nfs/dbraw/zinc/89/78/76/1315897876.db2.gz ITOJQNIPAYNLEK-JTQLQIEISA-N 2 2 342.827 2.492 20 5 EEBDLP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000843354873 1315897878 /nfs/dbraw/zinc/89/78/78/1315897878.db2.gz ITOJQNIPAYNLEK-JTQLQIEISA-N 2 2 342.827 2.492 20 5 EEBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1 ZINC001157916457 1318928798 /nfs/dbraw/zinc/92/87/98/1318928798.db2.gz ZVGXCAKSNOYJPE-UHFFFAOYSA-N 2 2 348.794 2.390 20 5 EEBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588738 242292946 /nfs/dbraw/zinc/29/29/46/242292946.db2.gz VHNSYPPRKAZYJN-OEAJRASXSA-N 2 2 333.436 2.347 20 5 EEBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588738 242292951 /nfs/dbraw/zinc/29/29/51/242292951.db2.gz VHNSYPPRKAZYJN-OEAJRASXSA-N 2 2 333.436 2.347 20 5 EEBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000072718750 203243226 /nfs/dbraw/zinc/24/32/26/203243226.db2.gz DGMKWALKQHLVNN-AWEZNQCLSA-N 2 2 346.431 2.002 20 5 EEBDLP NC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000072718750 203243229 /nfs/dbraw/zinc/24/32/29/203243229.db2.gz DGMKWALKQHLVNN-AWEZNQCLSA-N 2 2 346.431 2.002 20 5 EEBDLP C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000176243955 207206726 /nfs/dbraw/zinc/20/67/26/207206726.db2.gz HUILDQFRGLGDKH-UHFFFAOYSA-N 2 2 343.431 2.388 20 5 EEBDLP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000176243955 207206730 /nfs/dbraw/zinc/20/67/30/207206730.db2.gz HUILDQFRGLGDKH-UHFFFAOYSA-N 2 2 343.431 2.388 20 5 EEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000130385076 292372755 /nfs/dbraw/zinc/37/27/55/292372755.db2.gz FRLVFUKVCHODFK-UHFFFAOYSA-N 2 2 332.360 2.180 20 5 EEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000130385076 292372756 /nfs/dbraw/zinc/37/27/56/292372756.db2.gz FRLVFUKVCHODFK-UHFFFAOYSA-N 2 2 332.360 2.180 20 5 EEBDLP C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346521328 161378846 /nfs/dbraw/zinc/37/88/46/161378846.db2.gz INYBGBCPHKGXBM-GFCCVEGCSA-N 2 2 326.360 2.365 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NCC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353668435 282044423 /nfs/dbraw/zinc/04/44/23/282044423.db2.gz FYXUHBYSEIILBI-MRXNPFEDSA-N 2 2 343.431 2.492 20 5 EEBDLP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000066138221 462855028 /nfs/dbraw/zinc/85/50/28/462855028.db2.gz AGERWBJRCQXUBP-CYBMUJFWSA-N 2 2 345.403 2.241 20 5 EEBDLP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000066138221 462855034 /nfs/dbraw/zinc/85/50/34/462855034.db2.gz AGERWBJRCQXUBP-CYBMUJFWSA-N 2 2 345.403 2.241 20 5 EEBDLP C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258440 465672532 /nfs/dbraw/zinc/67/25/32/465672532.db2.gz NRFLOKMBOCCGOY-QGZVFWFLSA-N 2 2 332.448 2.195 20 5 EEBDLP C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258440 465672535 /nfs/dbraw/zinc/67/25/35/465672535.db2.gz NRFLOKMBOCCGOY-QGZVFWFLSA-N 2 2 332.448 2.195 20 5 EEBDLP CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371258440 465672538 /nfs/dbraw/zinc/67/25/38/465672538.db2.gz NRFLOKMBOCCGOY-QGZVFWFLSA-N 2 2 332.448 2.195 20 5 EEBDLP CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371258440 465672540 /nfs/dbraw/zinc/67/25/40/465672540.db2.gz NRFLOKMBOCCGOY-QGZVFWFLSA-N 2 2 332.448 2.195 20 5 EEBDLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353494352 465930372 /nfs/dbraw/zinc/93/03/72/465930372.db2.gz BOSDXSASINMWGB-MRXNPFEDSA-N 2 2 340.387 2.212 20 5 EEBDLP [NH3+]CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000420304062 467345730 /nfs/dbraw/zinc/34/57/30/467345730.db2.gz ILBSKKLVIHZNLB-UHFFFAOYSA-N 2 2 342.399 2.384 20 5 EEBDLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000420304062 467345736 /nfs/dbraw/zinc/34/57/36/467345736.db2.gz ILBSKKLVIHZNLB-UHFFFAOYSA-N 2 2 342.399 2.384 20 5 EEBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532240653 468104914 /nfs/dbraw/zinc/10/49/14/468104914.db2.gz VEOLJJYAJDOANE-KBPBESRZSA-N 2 2 334.420 2.243 20 5 EEBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532240653 468104918 /nfs/dbraw/zinc/10/49/18/468104918.db2.gz VEOLJJYAJDOANE-KBPBESRZSA-N 2 2 334.420 2.243 20 5 EEBDLP COc1ccc(C[C@@H](C)[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246558108 1310340642 /nfs/dbraw/zinc/34/06/42/1310340642.db2.gz ONTZVPKFAXOLCV-YPMHNXCESA-N 2 2 343.374 2.450 20 5 EEBDLP COc1ccc(C[C@@H](C)[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246558108 1310340652 /nfs/dbraw/zinc/34/06/52/1310340652.db2.gz ONTZVPKFAXOLCV-YPMHNXCESA-N 2 2 343.374 2.450 20 5 EEBDLP [NH3+]C[C@@]1(Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])C[NH+]2CCC1CC2 ZINC001160509875 1320179626 /nfs/dbraw/zinc/17/96/26/1320179626.db2.gz CAYCYQQZVRCAAH-CYBMUJFWSA-N 2 2 346.218 2.132 20 5 EEBDLP C[NH+](C)[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000447818429 242322555 /nfs/dbraw/zinc/32/25/55/242322555.db2.gz XARCTOUNWPRRHH-GOSISDBHSA-N 2 2 348.447 2.179 20 5 EEBDLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000109793979 204294589 /nfs/dbraw/zinc/29/45/89/204294589.db2.gz WFYDXGOEXBREIC-UHFFFAOYSA-N 2 2 329.360 2.067 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000181094869 323339385 /nfs/dbraw/zinc/33/93/85/323339385.db2.gz SNDXMXQIGHRNJP-AWEZNQCLSA-N 2 2 345.403 2.449 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000181094869 323339389 /nfs/dbraw/zinc/33/93/89/323339389.db2.gz SNDXMXQIGHRNJP-AWEZNQCLSA-N 2 2 345.403 2.449 20 5 EEBDLP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000337230439 465256332 /nfs/dbraw/zinc/25/63/32/465256332.db2.gz STRNZSNIFRNFLT-QGZVFWFLSA-N 2 2 346.431 2.118 20 5 EEBDLP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000337230439 465256335 /nfs/dbraw/zinc/25/63/35/465256335.db2.gz STRNZSNIFRNFLT-QGZVFWFLSA-N 2 2 346.431 2.118 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000265508206 464584515 /nfs/dbraw/zinc/58/45/15/464584515.db2.gz QRVLRGZHCTYDQA-KGLIPLIRSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000265508206 464584519 /nfs/dbraw/zinc/58/45/19/464584519.db2.gz QRVLRGZHCTYDQA-KGLIPLIRSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000265508206 464584524 /nfs/dbraw/zinc/58/45/24/464584524.db2.gz QRVLRGZHCTYDQA-KGLIPLIRSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265508206 464584528 /nfs/dbraw/zinc/58/45/28/464584528.db2.gz QRVLRGZHCTYDQA-KGLIPLIRSA-N 2 2 334.420 2.195 20 5 EEBDLP CC[N@H+](CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272585590 464668900 /nfs/dbraw/zinc/66/89/00/464668900.db2.gz YXODWYZYGDDDNC-KRWDZBQOSA-N 2 2 343.431 2.492 20 5 EEBDLP CC[N@@H+](CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272585590 464668905 /nfs/dbraw/zinc/66/89/05/464668905.db2.gz YXODWYZYGDDDNC-KRWDZBQOSA-N 2 2 343.431 2.492 20 5 EEBDLP Cc1cc(NC[C@@](C)(O)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301761305 466027572 /nfs/dbraw/zinc/02/75/72/466027572.db2.gz CSNCIIBOSDAWTN-QGZVFWFLSA-N 2 2 345.403 2.085 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435232025 467453042 /nfs/dbraw/zinc/45/30/42/467453042.db2.gz HZXVUNLJURWZGK-OAHLLOKOSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435232025 467453045 /nfs/dbraw/zinc/45/30/45/467453045.db2.gz HZXVUNLJURWZGK-OAHLLOKOSA-N 2 2 332.404 2.058 20 5 EEBDLP CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435627714 467483975 /nfs/dbraw/zinc/48/39/75/467483975.db2.gz OGEWACVNDFAQRZ-AWEZNQCLSA-N 2 2 334.420 2.306 20 5 EEBDLP CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435627714 467483978 /nfs/dbraw/zinc/48/39/78/467483978.db2.gz OGEWACVNDFAQRZ-AWEZNQCLSA-N 2 2 334.420 2.306 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534581013 468265705 /nfs/dbraw/zinc/26/57/05/468265705.db2.gz ZWLBAKCGLAAVHN-STQMWFEESA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534581013 468265711 /nfs/dbraw/zinc/26/57/11/468265711.db2.gz ZWLBAKCGLAAVHN-STQMWFEESA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593734044 469116323 /nfs/dbraw/zinc/11/63/23/469116323.db2.gz SBMFPFJUWLFYMW-BBRMVZONSA-N 2 2 334.420 2.007 20 5 EEBDLP C[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593734044 469116330 /nfs/dbraw/zinc/11/63/30/469116330.db2.gz SBMFPFJUWLFYMW-BBRMVZONSA-N 2 2 334.420 2.007 20 5 EEBDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000902435807 1237596201 /nfs/dbraw/zinc/59/62/01/1237596201.db2.gz VDKKPARJHBICMO-BVIKNXMNSA-N 2 2 341.415 2.489 20 5 EEBDLP CC(C)[C@@H]([NH3+])c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000843154195 1315857027 /nfs/dbraw/zinc/85/70/27/1315857027.db2.gz YRSVMTRRFULXQL-CYBMUJFWSA-N 2 2 328.332 2.486 20 5 EEBDLP COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001170354188 809902627 /nfs/dbraw/zinc/90/26/27/809902627.db2.gz IHMAUDDSMZVTBR-DDUZABMNSA-N 2 2 333.432 2.418 20 5 EEBDLP COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001170354188 809902634 /nfs/dbraw/zinc/90/26/34/809902634.db2.gz IHMAUDDSMZVTBR-DDUZABMNSA-N 2 2 333.432 2.418 20 5 EEBDLP C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000374322447 154050390 /nfs/dbraw/zinc/05/03/90/154050390.db2.gz DARUNCYQFVLKEX-NVXWUHKLSA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000374322447 154050391 /nfs/dbraw/zinc/05/03/91/154050391.db2.gz DARUNCYQFVLKEX-NVXWUHKLSA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346521329 161379027 /nfs/dbraw/zinc/37/90/27/161379027.db2.gz INYBGBCPHKGXBM-LBPRGKRZSA-N 2 2 326.360 2.365 20 5 EEBDLP C[C@H](CCCC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000292176110 275388589 /nfs/dbraw/zinc/38/85/89/275388589.db2.gz WKEZXTMRXFYZBS-GFCCVEGCSA-N 2 2 331.376 2.028 20 5 EEBDLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272499901 464634363 /nfs/dbraw/zinc/63/43/63/464634363.db2.gz GORANWSKFHECEZ-MRXNPFEDSA-N 2 2 340.387 2.212 20 5 EEBDLP C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367026824 466080160 /nfs/dbraw/zinc/08/01/60/466080160.db2.gz DDCPDWHIKUAGFS-LPHOPBHVSA-N 2 2 346.475 2.095 20 5 EEBDLP C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367026824 466080163 /nfs/dbraw/zinc/08/01/63/466080163.db2.gz DDCPDWHIKUAGFS-LPHOPBHVSA-N 2 2 346.475 2.095 20 5 EEBDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000358152503 466498431 /nfs/dbraw/zinc/49/84/31/466498431.db2.gz CIBVSLDCLRSLKS-KRWDZBQOSA-N 2 2 331.372 2.011 20 5 EEBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420370973 467382423 /nfs/dbraw/zinc/38/24/23/467382423.db2.gz WKXRXJPQHYHZSP-LBPRGKRZSA-N 2 2 328.800 2.150 20 5 EEBDLP CC1(C)CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000601150937 468762322 /nfs/dbraw/zinc/76/23/22/468762322.db2.gz JCFSJZPVICPJBI-UHFFFAOYSA-N 2 2 330.388 2.036 20 5 EEBDLP CC1(C)CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000601150937 468762328 /nfs/dbraw/zinc/76/23/28/468762328.db2.gz JCFSJZPVICPJBI-UHFFFAOYSA-N 2 2 330.388 2.036 20 5 EEBDLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913442 797172093 /nfs/dbraw/zinc/17/20/93/797172093.db2.gz VWUODQZPCURRAG-GOSISDBHSA-N 3 2 348.491 2.445 20 5 EEBDLP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913442 797172095 /nfs/dbraw/zinc/17/20/95/797172095.db2.gz VWUODQZPCURRAG-GOSISDBHSA-N 3 2 348.491 2.445 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423367521 240456587 /nfs/dbraw/zinc/45/65/87/240456587.db2.gz MQTYVIIRJAGIQK-IJEWVQPXSA-N 2 2 329.404 2.277 20 5 EEBDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000246155477 160264891 /nfs/dbraw/zinc/26/48/91/160264891.db2.gz HRZQRCFRBCAGCO-HOTGVXAUSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000246155477 160264894 /nfs/dbraw/zinc/26/48/94/160264894.db2.gz HRZQRCFRBCAGCO-HOTGVXAUSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000246155477 160264896 /nfs/dbraw/zinc/26/48/96/160264896.db2.gz HRZQRCFRBCAGCO-HOTGVXAUSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000246155477 160264897 /nfs/dbraw/zinc/26/48/97/160264897.db2.gz HRZQRCFRBCAGCO-HOTGVXAUSA-N 2 2 335.452 2.378 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247006770 160305258 /nfs/dbraw/zinc/30/52/58/160305258.db2.gz PWTOOYZTJQYGDL-YOEHRIQHSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247006770 160305259 /nfs/dbraw/zinc/30/52/59/160305259.db2.gz PWTOOYZTJQYGDL-YOEHRIQHSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247006770 160305261 /nfs/dbraw/zinc/30/52/61/160305261.db2.gz PWTOOYZTJQYGDL-YOEHRIQHSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247006770 160305262 /nfs/dbraw/zinc/30/52/62/160305262.db2.gz PWTOOYZTJQYGDL-YOEHRIQHSA-N 2 2 346.431 2.258 20 5 EEBDLP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342872898 161097224 /nfs/dbraw/zinc/09/72/24/161097224.db2.gz ITUYPOBVGVAIGC-ZDUSSCGKSA-N 2 2 345.403 2.241 20 5 EEBDLP COc1cc(C[NH2+]CCC[NH+](C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272358709 274168832 /nfs/dbraw/zinc/16/88/32/274168832.db2.gz FANXOOPMEZULQD-UHFFFAOYSA-N 2 2 347.362 2.289 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000590598825 468283063 /nfs/dbraw/zinc/28/30/63/468283063.db2.gz BULWXQJZQOIYTO-UHFFFAOYSA-N 2 2 329.360 2.013 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000590598825 468283067 /nfs/dbraw/zinc/28/30/67/468283067.db2.gz BULWXQJZQOIYTO-UHFFFAOYSA-N 2 2 329.360 2.013 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000261891345 463890148 /nfs/dbraw/zinc/89/01/48/463890148.db2.gz VOCVVPJRKUHTJC-OAHLLOKOSA-N 2 2 345.346 2.376 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000261891345 463890150 /nfs/dbraw/zinc/89/01/50/463890150.db2.gz VOCVVPJRKUHTJC-OAHLLOKOSA-N 2 2 345.346 2.376 20 5 EEBDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900514 464864381 /nfs/dbraw/zinc/86/43/81/464864381.db2.gz UBFNXMLQVGSEHZ-YOEHRIQHSA-N 2 2 348.447 2.188 20 5 EEBDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900514 464864382 /nfs/dbraw/zinc/86/43/82/464864382.db2.gz UBFNXMLQVGSEHZ-YOEHRIQHSA-N 2 2 348.447 2.188 20 5 EEBDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900508 464864549 /nfs/dbraw/zinc/86/45/49/464864549.db2.gz UBFNXMLQVGSEHZ-PBHICJAKSA-N 2 2 348.447 2.188 20 5 EEBDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900508 464864553 /nfs/dbraw/zinc/86/45/53/464864553.db2.gz UBFNXMLQVGSEHZ-PBHICJAKSA-N 2 2 348.447 2.188 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357084348 465755435 /nfs/dbraw/zinc/75/54/35/465755435.db2.gz PVCCXLHRFUGZEC-CMPLNLGQSA-N 2 2 327.331 2.238 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357084348 465755445 /nfs/dbraw/zinc/75/54/45/465755445.db2.gz PVCCXLHRFUGZEC-CMPLNLGQSA-N 2 2 327.331 2.238 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577837 468485733 /nfs/dbraw/zinc/48/57/33/468485733.db2.gz IPCJMPINUKIFPC-ZBFHGGJFSA-N 2 2 329.404 2.149 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000415115336 467493309 /nfs/dbraw/zinc/49/33/09/467493309.db2.gz ULXVYIMVIYEMAY-CQSZACIVSA-N 2 2 331.372 2.404 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000415115336 467493312 /nfs/dbraw/zinc/49/33/12/467493312.db2.gz ULXVYIMVIYEMAY-CQSZACIVSA-N 2 2 331.372 2.404 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532530740 468122745 /nfs/dbraw/zinc/12/27/45/468122745.db2.gz MHFBCYZADIEQIF-ZIAGYGMSSA-N 2 2 334.420 2.243 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532530740 468122748 /nfs/dbraw/zinc/12/27/48/468122748.db2.gz MHFBCYZADIEQIF-ZIAGYGMSSA-N 2 2 334.420 2.243 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600728250 468638071 /nfs/dbraw/zinc/63/80/71/468638071.db2.gz SQJPCFVERBGXPT-RISCZKNCSA-N 2 2 347.337 2.433 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600728250 468638076 /nfs/dbraw/zinc/63/80/76/468638076.db2.gz SQJPCFVERBGXPT-RISCZKNCSA-N 2 2 347.337 2.433 20 5 EEBDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000571626845 468813824 /nfs/dbraw/zinc/81/38/24/468813824.db2.gz MFHRZIVAGGUIDZ-VRKREXBASA-N 2 2 333.436 2.490 20 5 EEBDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000571626845 468813827 /nfs/dbraw/zinc/81/38/27/468813827.db2.gz MFHRZIVAGGUIDZ-VRKREXBASA-N 2 2 333.436 2.490 20 5 EEBDLP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000573795818 469206764 /nfs/dbraw/zinc/20/67/64/469206764.db2.gz XUJYZDIHQWGTFY-QWHCGFSZSA-N 2 2 332.404 2.138 20 5 EEBDLP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000573795818 469206771 /nfs/dbraw/zinc/20/67/71/469206771.db2.gz XUJYZDIHQWGTFY-QWHCGFSZSA-N 2 2 332.404 2.138 20 5 EEBDLP O=C(CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609157460 469898821 /nfs/dbraw/zinc/89/88/21/469898821.db2.gz RUIBLBADMCYVER-AWEZNQCLSA-N 2 2 343.387 2.457 20 5 EEBDLP O=C(CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609157460 469898827 /nfs/dbraw/zinc/89/88/27/469898827.db2.gz RUIBLBADMCYVER-AWEZNQCLSA-N 2 2 343.387 2.457 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258092 469907527 /nfs/dbraw/zinc/90/75/27/469907527.db2.gz LUDHCTLSPUSOKP-OAHLLOKOSA-N 2 2 343.387 2.375 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258092 469907530 /nfs/dbraw/zinc/90/75/30/469907530.db2.gz LUDHCTLSPUSOKP-OAHLLOKOSA-N 2 2 343.387 2.375 20 5 EEBDLP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000733166163 577206098 /nfs/dbraw/zinc/20/60/98/577206098.db2.gz GAFVVZHFRDEPJD-CQSZACIVSA-N 2 2 345.403 2.097 20 5 EEBDLP COc1c(O)ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000892227798 678280865 /nfs/dbraw/zinc/28/08/65/678280865.db2.gz KJNZCNDOJKOHTB-TZMCWYRMSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000892227798 678280869 /nfs/dbraw/zinc/28/08/69/678280869.db2.gz KJNZCNDOJKOHTB-TZMCWYRMSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000892227798 678280872 /nfs/dbraw/zinc/28/08/72/678280872.db2.gz KJNZCNDOJKOHTB-TZMCWYRMSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000892227798 678280874 /nfs/dbraw/zinc/28/08/74/678280874.db2.gz KJNZCNDOJKOHTB-TZMCWYRMSA-N 2 2 335.404 2.225 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000931441830 1207381136 /nfs/dbraw/zinc/38/11/36/1207381136.db2.gz YYNFWRALCGXBMF-SOUVJXGZSA-N 2 2 346.431 2.114 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000931441830 1207381139 /nfs/dbraw/zinc/38/11/39/1207381139.db2.gz YYNFWRALCGXBMF-SOUVJXGZSA-N 2 2 346.431 2.114 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000931441830 1207381142 /nfs/dbraw/zinc/38/11/42/1207381142.db2.gz YYNFWRALCGXBMF-SOUVJXGZSA-N 2 2 346.431 2.114 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000931441830 1207381146 /nfs/dbraw/zinc/38/11/46/1207381146.db2.gz YYNFWRALCGXBMF-SOUVJXGZSA-N 2 2 346.431 2.114 20 5 EEBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000779061718 1208485900 /nfs/dbraw/zinc/48/59/00/1208485900.db2.gz MPMXUCOYWGRECP-HNNXBMFYSA-N 2 2 341.415 2.365 20 5 EEBDLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843355734 1315898933 /nfs/dbraw/zinc/89/89/33/1315898933.db2.gz IMVWPVPYFCBUOP-CQSZACIVSA-N 2 2 328.800 2.150 20 5 EEBDLP C[C@@]([NH3+])(C(=O)Nc1cccc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC001576086283 1403560163 /nfs/dbraw/zinc/56/01/63/1403560163.db2.gz QOFZJBAJRCXIGM-INIZCTEOSA-N 2 2 325.328 2.055 20 5 EEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)CC1 ZINC000804450279 810875987 /nfs/dbraw/zinc/87/59/87/810875987.db2.gz JJAHBXMVMAMGHX-LBPRGKRZSA-N 2 2 349.391 2.083 20 5 EEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)CC1 ZINC000804450279 810875992 /nfs/dbraw/zinc/87/59/92/810875992.db2.gz JJAHBXMVMAMGHX-LBPRGKRZSA-N 2 2 349.391 2.083 20 5 EEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245829093 160253161 /nfs/dbraw/zinc/25/31/61/160253161.db2.gz GBDUSUFFBYCNEE-RHSMWYFYSA-N 2 2 344.415 2.316 20 5 EEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245829093 160253162 /nfs/dbraw/zinc/25/31/62/160253162.db2.gz GBDUSUFFBYCNEE-RHSMWYFYSA-N 2 2 344.415 2.316 20 5 EEBDLP COc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000346642361 161388011 /nfs/dbraw/zinc/38/80/11/161388011.db2.gz CCIZIMZPZIUSBT-CYBMUJFWSA-N 2 2 325.409 2.417 20 5 EEBDLP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000346642361 161388012 /nfs/dbraw/zinc/38/80/12/161388012.db2.gz CCIZIMZPZIUSBT-CYBMUJFWSA-N 2 2 325.409 2.417 20 5 EEBDLP C[N@@H+]1CCC[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000568471946 468340476 /nfs/dbraw/zinc/34/04/76/468340476.db2.gz DZMBJRDMGLWUKG-MRXNPFEDSA-N 2 2 348.447 2.181 20 5 EEBDLP C[N@H+]1CCC[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000568471946 468340480 /nfs/dbraw/zinc/34/04/80/468340480.db2.gz DZMBJRDMGLWUKG-MRXNPFEDSA-N 2 2 348.447 2.181 20 5 EEBDLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000271774485 464380402 /nfs/dbraw/zinc/38/04/02/464380402.db2.gz FXTFJNUNTKRJJD-UHFFFAOYSA-N 2 2 349.431 2.145 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281252002 464386405 /nfs/dbraw/zinc/38/64/05/464386405.db2.gz GWZUKFDAZTVROU-CQSZACIVSA-N 2 2 334.420 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281252002 464386410 /nfs/dbraw/zinc/38/64/10/464386410.db2.gz GWZUKFDAZTVROU-CQSZACIVSA-N 2 2 334.420 2.340 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371294258 465694316 /nfs/dbraw/zinc/69/43/16/465694316.db2.gz JQQPCTJKFWKONU-QGPMSJSTSA-N 2 2 349.431 2.287 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371294258 465694321 /nfs/dbraw/zinc/69/43/21/465694321.db2.gz JQQPCTJKFWKONU-QGPMSJSTSA-N 2 2 349.431 2.287 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420336363 467364297 /nfs/dbraw/zinc/36/42/97/467364297.db2.gz MDIGEKOMAMKTMW-DOMZBBRYSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420336363 467364301 /nfs/dbraw/zinc/36/43/01/467364301.db2.gz MDIGEKOMAMKTMW-DOMZBBRYSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1nc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000450357919 467834965 /nfs/dbraw/zinc/83/49/65/467834965.db2.gz OXHFGMGJZAYLMD-UHFFFAOYSA-N 2 2 348.451 2.055 20 5 EEBDLP C[C@@H](Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[C@H](C)[NH+]1CCOCC1 ZINC000601113916 468745296 /nfs/dbraw/zinc/74/52/96/468745296.db2.gz JITNXDKERPHEFY-OLZOCXBDSA-N 2 2 330.388 2.086 20 5 EEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000876714936 1199736115 /nfs/dbraw/zinc/73/61/15/1199736115.db2.gz GQHIKJZYZSHHMN-KRWDZBQOSA-N 2 2 346.475 2.423 20 5 EEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000876714936 1199736119 /nfs/dbraw/zinc/73/61/19/1199736119.db2.gz GQHIKJZYZSHHMN-KRWDZBQOSA-N 2 2 346.475 2.423 20 5 EEBDLP CCOC(=O)C[N@H+](CCC[NH3+])[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246919808 1310467527 /nfs/dbraw/zinc/46/75/27/1310467527.db2.gz LFZBHBOTGGCVDW-MRXNPFEDSA-N 2 2 349.431 2.056 20 5 EEBDLP CCOC(=O)C[N@@H+](CCC[NH3+])[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246919808 1310467535 /nfs/dbraw/zinc/46/75/35/1310467535.db2.gz LFZBHBOTGGCVDW-MRXNPFEDSA-N 2 2 349.431 2.056 20 5 EEBDLP CC1(C)C[NH2+][C@@H]1C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001576469410 1403575962 /nfs/dbraw/zinc/57/59/62/1403575962.db2.gz NRLFQECWODPFSD-QGZVFWFLSA-N 2 2 346.431 2.243 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761444 242109885 /nfs/dbraw/zinc/10/98/85/242109885.db2.gz XJKCBLBXYBVRBM-NNQSOWQGSA-N 2 2 332.404 2.057 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761444 242109889 /nfs/dbraw/zinc/10/98/89/242109889.db2.gz XJKCBLBXYBVRBM-NNQSOWQGSA-N 2 2 332.404 2.057 20 5 EEBDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000104719806 204116605 /nfs/dbraw/zinc/11/66/05/204116605.db2.gz WPHUORBFMUWUIH-UHFFFAOYSA-N 2 2 328.372 2.321 20 5 EEBDLP COc1cc(C[NH2+]CC2([NH3+])CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000342179436 161046089 /nfs/dbraw/zinc/04/60/89/161046089.db2.gz YMADETNEDTUBDS-UHFFFAOYSA-N 2 2 331.319 2.176 20 5 EEBDLP C[NH+](C)C1CC[NH+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278527995 274365636 /nfs/dbraw/zinc/36/56/36/274365636.db2.gz ZSKAYDCSUAILHN-UHFFFAOYSA-N 2 2 333.436 2.001 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124457286 463426263 /nfs/dbraw/zinc/42/62/63/463426263.db2.gz WJRVWHNWGLIMIJ-ZDUSSCGKSA-N 2 2 331.376 2.140 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124457286 463426264 /nfs/dbraw/zinc/42/62/64/463426264.db2.gz WJRVWHNWGLIMIJ-ZDUSSCGKSA-N 2 2 331.376 2.140 20 5 EEBDLP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237081877 464262619 /nfs/dbraw/zinc/26/26/19/464262619.db2.gz IFULCCYWOMPPDI-MRXNPFEDSA-N 2 2 329.404 2.179 20 5 EEBDLP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237081877 464262625 /nfs/dbraw/zinc/26/26/25/464262625.db2.gz IFULCCYWOMPPDI-MRXNPFEDSA-N 2 2 329.404 2.179 20 5 EEBDLP CC1CC[NH+](C[C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000176245620 464731285 /nfs/dbraw/zinc/73/12/85/464731285.db2.gz OWPCEWJYOSXRKM-INIZCTEOSA-N 2 2 335.452 2.235 20 5 EEBDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000176245620 464731288 /nfs/dbraw/zinc/73/12/88/464731288.db2.gz OWPCEWJYOSXRKM-INIZCTEOSA-N 2 2 335.452 2.235 20 5 EEBDLP NC(=O)c1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000310594444 466516429 /nfs/dbraw/zinc/51/64/29/466516429.db2.gz PNEDONYZAFSFPR-UHFFFAOYSA-N 2 2 342.399 2.045 20 5 EEBDLP NC(=O)c1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000310594444 466516433 /nfs/dbraw/zinc/51/64/33/466516433.db2.gz PNEDONYZAFSFPR-UHFFFAOYSA-N 2 2 342.399 2.045 20 5 EEBDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420357953 467376512 /nfs/dbraw/zinc/37/65/12/467376512.db2.gz DYUKXELXBRZJKL-FCHSOHFDSA-N 2 2 340.811 2.163 20 5 EEBDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547697 469356112 /nfs/dbraw/zinc/35/61/12/469356112.db2.gz RSBWHLWMKMSXNS-INIZCTEOSA-N 2 2 347.463 2.423 20 5 EEBDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602547697 469356116 /nfs/dbraw/zinc/35/61/16/469356116.db2.gz RSBWHLWMKMSXNS-INIZCTEOSA-N 2 2 347.463 2.423 20 5 EEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000618567967 469392055 /nfs/dbraw/zinc/39/20/55/469392055.db2.gz ARAIZDRZJMVHNF-ARFHVFGLSA-N 2 2 333.436 2.349 20 5 EEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000618567967 469392057 /nfs/dbraw/zinc/39/20/57/469392057.db2.gz ARAIZDRZJMVHNF-ARFHVFGLSA-N 2 2 333.436 2.349 20 5 EEBDLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000247074944 1213598504 /nfs/dbraw/zinc/59/85/04/1213598504.db2.gz WDJKSNUTAHGBSF-GOEBONIOSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000247074944 1213598507 /nfs/dbraw/zinc/59/85/07/1213598507.db2.gz WDJKSNUTAHGBSF-GOEBONIOSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000247074944 1213598509 /nfs/dbraw/zinc/59/85/09/1213598509.db2.gz WDJKSNUTAHGBSF-GOEBONIOSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000247074944 1213598514 /nfs/dbraw/zinc/59/85/14/1213598514.db2.gz WDJKSNUTAHGBSF-GOEBONIOSA-N 2 2 329.404 2.318 20 5 EEBDLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)C1 ZINC001158261901 1319122152 /nfs/dbraw/zinc/12/21/52/1319122152.db2.gz PDSKBVLMMAPMQZ-ZDUSSCGKSA-N 2 2 341.415 2.145 20 5 EEBDLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)C1 ZINC001158261901 1319122158 /nfs/dbraw/zinc/12/21/58/1319122158.db2.gz PDSKBVLMMAPMQZ-ZDUSSCGKSA-N 2 2 341.415 2.145 20 5 EEBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000072857779 203249902 /nfs/dbraw/zinc/24/99/02/203249902.db2.gz JJCLCELSQOIHKV-ZDUSSCGKSA-N 2 2 335.404 2.235 20 5 EEBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000072857779 203249904 /nfs/dbraw/zinc/24/99/04/203249904.db2.gz JJCLCELSQOIHKV-ZDUSSCGKSA-N 2 2 335.404 2.235 20 5 EEBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000072857779 203249908 /nfs/dbraw/zinc/24/99/08/203249908.db2.gz JJCLCELSQOIHKV-ZDUSSCGKSA-N 2 2 335.404 2.235 20 5 EEBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000072857779 203249911 /nfs/dbraw/zinc/24/99/11/203249911.db2.gz JJCLCELSQOIHKV-ZDUSSCGKSA-N 2 2 335.404 2.235 20 5 EEBDLP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000565096408 319148508 /nfs/dbraw/zinc/14/85/08/319148508.db2.gz QLIKLTDKBCWFGK-UHFFFAOYSA-N 2 2 340.811 2.248 20 5 EEBDLP C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000341503019 465203295 /nfs/dbraw/zinc/20/32/95/465203295.db2.gz VOXNESMDUPYJKC-UHFFFAOYSA-N 2 2 327.812 2.137 20 5 EEBDLP C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000341503019 465203301 /nfs/dbraw/zinc/20/33/01/465203301.db2.gz VOXNESMDUPYJKC-UHFFFAOYSA-N 2 2 327.812 2.137 20 5 EEBDLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000124434740 463422259 /nfs/dbraw/zinc/42/22/59/463422259.db2.gz XVXCDJYYKUMFLV-UHFFFAOYSA-N 2 2 331.376 2.142 20 5 EEBDLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000124434740 463422266 /nfs/dbraw/zinc/42/22/66/463422266.db2.gz XVXCDJYYKUMFLV-UHFFFAOYSA-N 2 2 331.376 2.142 20 5 EEBDLP Cc1cc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000269326725 463953782 /nfs/dbraw/zinc/95/37/82/463953782.db2.gz LDNVVXHNJSJJHE-UHFFFAOYSA-N 2 2 347.463 2.293 20 5 EEBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317851 466831919 /nfs/dbraw/zinc/83/19/19/466831919.db2.gz XNHRUVGIDKPPPI-AEFFLSMTSA-N 2 2 332.448 2.198 20 5 EEBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420357955 467376567 /nfs/dbraw/zinc/37/65/67/467376567.db2.gz DYUKXELXBRZJKL-HFBDOXOYSA-N 2 2 340.811 2.163 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449384970 467634650 /nfs/dbraw/zinc/63/46/50/467634650.db2.gz DARLMRLYHIZSKM-OTMARIDSSA-N 2 2 333.432 2.435 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449384970 467634652 /nfs/dbraw/zinc/63/46/52/467634652.db2.gz DARLMRLYHIZSKM-OTMARIDSSA-N 2 2 333.432 2.435 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534019680 468231060 /nfs/dbraw/zinc/23/10/60/468231060.db2.gz SLXBYLVNFHUFNQ-ZDUSSCGKSA-N 2 2 343.387 2.065 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534019680 468231066 /nfs/dbraw/zinc/23/10/66/468231066.db2.gz SLXBYLVNFHUFNQ-ZDUSSCGKSA-N 2 2 343.387 2.065 20 5 EEBDLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766382614 577518262 /nfs/dbraw/zinc/51/82/62/577518262.db2.gz MTKSLZWTXHAZLV-OAHLLOKOSA-N 2 2 332.448 2.495 20 5 EEBDLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766382614 577518263 /nfs/dbraw/zinc/51/82/63/577518263.db2.gz MTKSLZWTXHAZLV-OAHLLOKOSA-N 2 2 332.448 2.495 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028584 577589247 /nfs/dbraw/zinc/58/92/47/577589247.db2.gz GOUOSTQFJKPMLP-GOEBONIOSA-N 2 2 330.388 2.241 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028584 577589248 /nfs/dbraw/zinc/58/92/48/577589248.db2.gz GOUOSTQFJKPMLP-GOEBONIOSA-N 2 2 330.388 2.241 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579734125 1344410906 /nfs/dbraw/zinc/41/09/06/1344410906.db2.gz OOKWHSWGZVKGFC-RDTXWAMCSA-N 2 2 346.431 2.293 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579734125 1344410910 /nfs/dbraw/zinc/41/09/10/1344410910.db2.gz OOKWHSWGZVKGFC-RDTXWAMCSA-N 2 2 346.431 2.293 20 5 EEBDLP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001168967906 803553455 /nfs/dbraw/zinc/55/34/55/803553455.db2.gz UMKJLCWSPGIYRB-ZWKOTPCHSA-N 2 2 333.432 2.054 20 5 EEBDLP CN(C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000109793173 204293897 /nfs/dbraw/zinc/29/38/97/204293897.db2.gz MMOKZXHLNZLKHK-UHFFFAOYSA-N 2 2 343.387 2.091 20 5 EEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000447596273 285169186 /nfs/dbraw/zinc/16/91/86/285169186.db2.gz CCRXLPJMFIRIQL-MGPQQGTHSA-N 2 2 330.392 2.076 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000352617760 162213780 /nfs/dbraw/zinc/21/37/80/162213780.db2.gz IOTCTNOUXXWJNP-XYPHTWIQSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000352617760 162213785 /nfs/dbraw/zinc/21/37/85/162213785.db2.gz IOTCTNOUXXWJNP-XYPHTWIQSA-N 2 2 337.395 2.417 20 5 EEBDLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296126798 293898763 /nfs/dbraw/zinc/89/87/63/293898763.db2.gz VUWOQOIFIXRYTQ-UHFFFAOYSA-N 2 2 341.415 2.448 20 5 EEBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000363242687 466303687 /nfs/dbraw/zinc/30/36/87/466303687.db2.gz MTYSUGUSPUTTKY-NSHDSACASA-N 2 2 339.827 2.224 20 5 EEBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000363242687 466303695 /nfs/dbraw/zinc/30/36/95/466303695.db2.gz MTYSUGUSPUTTKY-NSHDSACASA-N 2 2 339.827 2.224 20 5 EEBDLP [NH3+]C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600728252 468638371 /nfs/dbraw/zinc/63/83/71/468638371.db2.gz SQJPCFVERBGXPT-SMDDNHRTSA-N 2 2 347.337 2.433 20 5 EEBDLP [NH3+]C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600728252 468638374 /nfs/dbraw/zinc/63/83/74/468638374.db2.gz SQJPCFVERBGXPT-SMDDNHRTSA-N 2 2 347.337 2.433 20 5 EEBDLP O=[N+]([O-])c1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1-n1cc[nH+]c1 ZINC000592356298 468682177 /nfs/dbraw/zinc/68/21/77/468682177.db2.gz KSVILYICOAIHRV-LLVKDONJSA-N 2 2 326.316 2.255 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000601121732 468749714 /nfs/dbraw/zinc/74/97/14/468749714.db2.gz QWBQHZZAOLXGSF-AWEZNQCLSA-N 2 2 342.399 2.302 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000601121733 468750890 /nfs/dbraw/zinc/75/08/90/468750890.db2.gz QWBQHZZAOLXGSF-CQSZACIVSA-N 2 2 342.399 2.302 20 5 EEBDLP O=[N+]([O-])c1cnn(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000595512665 468883100 /nfs/dbraw/zinc/88/31/00/468883100.db2.gz ZBFJZCLHCJOQQJ-UHFFFAOYSA-N 2 2 329.404 2.046 20 5 EEBDLP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000609599086 469946136 /nfs/dbraw/zinc/94/61/36/469946136.db2.gz KPXHYYFUYKKUDE-MRXNPFEDSA-N 2 2 349.431 2.336 20 5 EEBDLP Cc1nn(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105882 577495053 /nfs/dbraw/zinc/49/50/53/577495053.db2.gz LSHRQSFKHGXEPI-XJKSGUPXSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105882 577495054 /nfs/dbraw/zinc/49/50/54/577495054.db2.gz LSHRQSFKHGXEPI-XJKSGUPXSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105882 577495055 /nfs/dbraw/zinc/49/50/55/577495055.db2.gz LSHRQSFKHGXEPI-XJKSGUPXSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000765105882 577495056 /nfs/dbraw/zinc/49/50/56/577495056.db2.gz LSHRQSFKHGXEPI-XJKSGUPXSA-N 2 2 344.419 2.022 20 5 EEBDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000902435810 1237595698 /nfs/dbraw/zinc/59/56/98/1237595698.db2.gz VDKKPARJHBICMO-YFHUEUNASA-N 2 2 341.415 2.489 20 5 EEBDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001576116993 1343968581 /nfs/dbraw/zinc/96/85/81/1343968581.db2.gz CZIXPPVMYVYRGB-RYUDHWBXSA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001576116993 1343968584 /nfs/dbraw/zinc/96/85/84/1343968584.db2.gz CZIXPPVMYVYRGB-RYUDHWBXSA-N 2 2 331.376 2.204 20 5 EEBDLP COc1cc(N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)cc[nH+]1 ZINC001169054997 803597122 /nfs/dbraw/zinc/59/71/22/803597122.db2.gz OXRYBAXEQOQZAS-ZFWWWQNUSA-N 2 2 334.420 2.094 20 5 EEBDLP Cc1cc(NCC[N@@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000352429750 162133271 /nfs/dbraw/zinc/13/32/71/162133271.db2.gz BGKCSZUFKBOZAZ-UHFFFAOYSA-N 2 2 327.388 2.288 20 5 EEBDLP Cc1cc(NCC[N@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000352429750 162133274 /nfs/dbraw/zinc/13/32/74/162133274.db2.gz BGKCSZUFKBOZAZ-UHFFFAOYSA-N 2 2 327.388 2.288 20 5 EEBDLP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000352534829 162176581 /nfs/dbraw/zinc/17/65/81/162176581.db2.gz JOFWDKSMEHSWBB-QGZVFWFLSA-N 2 2 335.404 2.188 20 5 EEBDLP COc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000352534829 162176584 /nfs/dbraw/zinc/17/65/84/162176584.db2.gz JOFWDKSMEHSWBB-QGZVFWFLSA-N 2 2 335.404 2.188 20 5 EEBDLP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186578418 276133216 /nfs/dbraw/zinc/13/32/16/276133216.db2.gz ZUXWNENINLTYIE-WBVHZDCISA-N 2 2 335.448 2.210 20 5 EEBDLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186578418 276133218 /nfs/dbraw/zinc/13/32/18/276133218.db2.gz ZUXWNENINLTYIE-WBVHZDCISA-N 2 2 335.448 2.210 20 5 EEBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000414772611 313083765 /nfs/dbraw/zinc/08/37/65/313083765.db2.gz CGCNGKKXBBBREZ-ZDUSSCGKSA-N 2 2 339.823 2.436 20 5 EEBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000414772611 313083767 /nfs/dbraw/zinc/08/37/67/313083767.db2.gz CGCNGKKXBBBREZ-ZDUSSCGKSA-N 2 2 339.823 2.436 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437078701 315025075 /nfs/dbraw/zinc/02/50/75/315025075.db2.gz OAXANYZMNVNHJT-CYBMUJFWSA-N 2 2 334.420 2.386 20 5 EEBDLP Cc1c(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000177381316 465001024 /nfs/dbraw/zinc/00/10/24/465001024.db2.gz PIIPROORTTUNKU-UHFFFAOYSA-N 2 2 334.464 2.361 20 5 EEBDLP Cc1c(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000177381316 465001028 /nfs/dbraw/zinc/00/10/28/465001028.db2.gz PIIPROORTTUNKU-UHFFFAOYSA-N 2 2 334.464 2.361 20 5 EEBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330871750 465839454 /nfs/dbraw/zinc/83/94/54/465839454.db2.gz RFTNUXQUXAFJAV-YOEHRIQHSA-N 2 2 348.447 2.362 20 5 EEBDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330871750 465839458 /nfs/dbraw/zinc/83/94/58/465839458.db2.gz RFTNUXQUXAFJAV-YOEHRIQHSA-N 2 2 348.447 2.362 20 5 EEBDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330871750 465839461 /nfs/dbraw/zinc/83/94/61/465839461.db2.gz RFTNUXQUXAFJAV-YOEHRIQHSA-N 2 2 348.447 2.362 20 5 EEBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330871750 465839465 /nfs/dbraw/zinc/83/94/65/465839465.db2.gz RFTNUXQUXAFJAV-YOEHRIQHSA-N 2 2 348.447 2.362 20 5 EEBDLP Cc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000378354978 467276625 /nfs/dbraw/zinc/27/66/25/467276625.db2.gz MGDAFDJCFAVDEP-KRWDZBQOSA-N 2 2 332.448 2.115 20 5 EEBDLP Cc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000378354978 467276628 /nfs/dbraw/zinc/27/66/28/467276628.db2.gz MGDAFDJCFAVDEP-KRWDZBQOSA-N 2 2 332.448 2.115 20 5 EEBDLP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420317985 467353964 /nfs/dbraw/zinc/35/39/64/467353964.db2.gz VGEPQIAHYKJJQN-LLVKDONJSA-N 2 2 340.811 2.248 20 5 EEBDLP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420317985 467353966 /nfs/dbraw/zinc/35/39/66/467353966.db2.gz VGEPQIAHYKJJQN-LLVKDONJSA-N 2 2 340.811 2.248 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430931572 467478098 /nfs/dbraw/zinc/47/80/98/467478098.db2.gz XDMDSGIGJKKJNJ-ONGXEEELSA-N 2 2 345.346 2.374 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430931572 467478102 /nfs/dbraw/zinc/47/81/02/467478102.db2.gz XDMDSGIGJKKJNJ-ONGXEEELSA-N 2 2 345.346 2.374 20 5 EEBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595097188 468758074 /nfs/dbraw/zinc/75/80/74/468758074.db2.gz RUCFNYYDKIESBW-ZFWWWQNUSA-N 2 2 334.420 2.386 20 5 EEBDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595097188 468758078 /nfs/dbraw/zinc/75/80/78/468758078.db2.gz RUCFNYYDKIESBW-ZFWWWQNUSA-N 2 2 334.420 2.386 20 5 EEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876714937 1199736080 /nfs/dbraw/zinc/73/60/80/1199736080.db2.gz GQHIKJZYZSHHMN-QGZVFWFLSA-N 2 2 346.475 2.423 20 5 EEBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000876714937 1199736083 /nfs/dbraw/zinc/73/60/83/1199736083.db2.gz GQHIKJZYZSHHMN-QGZVFWFLSA-N 2 2 346.475 2.423 20 5 EEBDLP C[C@@H](C[N+](C)(C)C)Oc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226706924 1301517626 /nfs/dbraw/zinc/51/76/26/1301517626.db2.gz QWKLNBJAPUCWPQ-HNNXBMFYSA-N 2 2 329.468 2.442 20 5 EEBDLP C[C@@H](C[N+](C)(C)C)Oc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226706924 1301517638 /nfs/dbraw/zinc/51/76/38/1301517638.db2.gz QWKLNBJAPUCWPQ-HNNXBMFYSA-N 2 2 329.468 2.442 20 5 EEBDLP [NH3+]CC1C[NH+]([C@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC001155375700 1317569855 /nfs/dbraw/zinc/56/98/55/1317569855.db2.gz HMOWPMSIWBCJNI-HNNXBMFYSA-N 2 2 341.415 2.002 20 5 EEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001337291668 1336677451 /nfs/dbraw/zinc/67/74/51/1336677451.db2.gz YPERXFIHRQWULP-PBHICJAKSA-N 2 2 344.415 2.316 20 5 EEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001337291668 1336677453 /nfs/dbraw/zinc/67/74/53/1336677453.db2.gz YPERXFIHRQWULP-PBHICJAKSA-N 2 2 344.415 2.316 20 5 EEBDLP Cc1nn(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000788382994 807507143 /nfs/dbraw/zinc/50/71/43/807507143.db2.gz RTXTUJDKFMAXDF-UHFFFAOYSA-N 2 2 344.419 2.470 20 5 EEBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320154 154051681 /nfs/dbraw/zinc/05/16/81/154051681.db2.gz GCKAHWXCCCHCKR-CYBMUJFWSA-N 2 2 344.419 2.241 20 5 EEBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374320154 154051685 /nfs/dbraw/zinc/05/16/85/154051685.db2.gz GCKAHWXCCCHCKR-CYBMUJFWSA-N 2 2 344.419 2.241 20 5 EEBDLP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C[NH3+])C1CC1 ZINC000359998879 164212155 /nfs/dbraw/zinc/21/21/55/164212155.db2.gz FOXVMLBSUOSSDM-HNNXBMFYSA-N 2 2 330.388 2.461 20 5 EEBDLP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C[NH3+])C1CC1 ZINC000359998879 164212156 /nfs/dbraw/zinc/21/21/56/164212156.db2.gz FOXVMLBSUOSSDM-HNNXBMFYSA-N 2 2 330.388 2.461 20 5 EEBDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000277308289 269147766 /nfs/dbraw/zinc/14/77/66/269147766.db2.gz UMTMEHOJEOVNSI-HNNXBMFYSA-N 2 2 335.404 2.377 20 5 EEBDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000277308289 269147767 /nfs/dbraw/zinc/14/77/67/269147767.db2.gz UMTMEHOJEOVNSI-HNNXBMFYSA-N 2 2 335.404 2.377 20 5 EEBDLP Cc1ccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000289900649 275159930 /nfs/dbraw/zinc/15/99/30/275159930.db2.gz UHTNXOUIPIBQIU-UHFFFAOYSA-N 2 2 334.464 2.361 20 5 EEBDLP Cc1ccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000289900649 275159931 /nfs/dbraw/zinc/15/99/31/275159931.db2.gz UHTNXOUIPIBQIU-UHFFFAOYSA-N 2 2 334.464 2.361 20 5 EEBDLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000104716823 463418825 /nfs/dbraw/zinc/41/88/25/463418825.db2.gz ACSMRRFVEKBKEK-UHFFFAOYSA-N 2 2 328.372 2.321 20 5 EEBDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000282228045 464743587 /nfs/dbraw/zinc/74/35/87/464743587.db2.gz OTNFKZOBNZDXCF-UHFFFAOYSA-N 2 2 347.463 2.172 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000351864211 465404807 /nfs/dbraw/zinc/40/48/07/465404807.db2.gz WSIVUOJXFPBPSK-ZJUUUORDSA-N 2 2 345.346 2.374 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000351864211 465404813 /nfs/dbraw/zinc/40/48/13/465404813.db2.gz WSIVUOJXFPBPSK-ZJUUUORDSA-N 2 2 345.346 2.374 20 5 EEBDLP C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371303291 465700697 /nfs/dbraw/zinc/70/06/97/465700697.db2.gz NYXIGXYYRKUUAI-CRAIPNDOSA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371303291 465700702 /nfs/dbraw/zinc/70/07/02/465700702.db2.gz NYXIGXYYRKUUAI-CRAIPNDOSA-N 2 2 332.448 2.053 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[N@H+]1CC=CCC1 ZINC000338713654 466328561 /nfs/dbraw/zinc/32/85/61/466328561.db2.gz UMIYSLFCQZUBKQ-UHFFFAOYSA-N 2 2 346.431 2.101 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[N@@H+]1CC=CCC1 ZINC000338713654 466328565 /nfs/dbraw/zinc/32/85/65/466328565.db2.gz UMIYSLFCQZUBKQ-UHFFFAOYSA-N 2 2 346.431 2.101 20 5 EEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000305204211 466377777 /nfs/dbraw/zinc/37/77/77/466377777.db2.gz XFWREHRFUGJWFE-IAGOWNOFSA-N 2 2 329.356 2.177 20 5 EEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000305204211 466377782 /nfs/dbraw/zinc/37/77/82/466377782.db2.gz XFWREHRFUGJWFE-IAGOWNOFSA-N 2 2 329.356 2.177 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368484374 466647321 /nfs/dbraw/zinc/64/73/21/466647321.db2.gz SKCOFWQPHXAJQZ-XYPHTWIQSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368484374 466647324 /nfs/dbraw/zinc/64/73/24/466647324.db2.gz SKCOFWQPHXAJQZ-XYPHTWIQSA-N 2 2 337.395 2.417 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631707 466888198 /nfs/dbraw/zinc/88/81/98/466888198.db2.gz AFULTYGUKFHVCK-HOCLYGCPSA-N 2 2 330.388 2.241 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631707 466888199 /nfs/dbraw/zinc/88/81/99/466888199.db2.gz AFULTYGUKFHVCK-HOCLYGCPSA-N 2 2 330.388 2.241 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631706 466888238 /nfs/dbraw/zinc/88/82/38/466888238.db2.gz AFULTYGUKFHVCK-GOEBONIOSA-N 2 2 330.388 2.241 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631706 466888239 /nfs/dbraw/zinc/88/82/39/466888239.db2.gz AFULTYGUKFHVCK-GOEBONIOSA-N 2 2 330.388 2.241 20 5 EEBDLP [NH3+][C@H]1CCC[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000420284480 467338422 /nfs/dbraw/zinc/33/84/22/467338422.db2.gz OWROEHMMRUSVOZ-HOCLYGCPSA-N 2 2 348.447 2.356 20 5 EEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430652565 467455575 /nfs/dbraw/zinc/45/55/75/467455575.db2.gz NKUZTQYNPHHCPA-GXTWGEPZSA-N 2 2 348.403 2.095 20 5 EEBDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430652565 467455579 /nfs/dbraw/zinc/45/55/79/467455579.db2.gz NKUZTQYNPHHCPA-GXTWGEPZSA-N 2 2 348.403 2.095 20 5 EEBDLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592487887 468709934 /nfs/dbraw/zinc/70/99/34/468709934.db2.gz ANCJCRWGZGTLFG-BFHYXJOUSA-N 2 2 334.420 2.289 20 5 EEBDLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592487887 468709937 /nfs/dbraw/zinc/70/99/37/468709937.db2.gz ANCJCRWGZGTLFG-BFHYXJOUSA-N 2 2 334.420 2.289 20 5 EEBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000602801641 469085678 /nfs/dbraw/zinc/08/56/78/469085678.db2.gz YGKDNOORPDFDFF-UHFFFAOYSA-N 2 2 330.392 2.071 20 5 EEBDLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[N@@H+]1C1CC1 ZINC000602568233 469364144 /nfs/dbraw/zinc/36/41/44/469364144.db2.gz KAAFKHWMUMEEFJ-UKRRQHHQSA-N 2 2 345.447 2.173 20 5 EEBDLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[N@H+]1C1CC1 ZINC000602568233 469364150 /nfs/dbraw/zinc/36/41/50/469364150.db2.gz KAAFKHWMUMEEFJ-UKRRQHHQSA-N 2 2 345.447 2.173 20 5 EEBDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218978967 1297888773 /nfs/dbraw/zinc/88/87/73/1297888773.db2.gz GOSTUWJIWYZXPQ-HNNXBMFYSA-N 2 2 346.394 2.025 20 5 EEBDLP COc1cc(N2CCC(n3cc[nH+]c3CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256086586 1318642322 /nfs/dbraw/zinc/64/23/22/1318642322.db2.gz YSBMVCIUJAQVHM-UHFFFAOYSA-N 2 2 345.403 2.143 20 5 EEBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001578275361 1403731314 /nfs/dbraw/zinc/73/13/14/1403731314.db2.gz JWENPFQAFCZDJW-MQBCKMQZSA-N 2 2 329.404 2.347 20 5 EEBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000817906899 785061998 /nfs/dbraw/zinc/06/19/98/785061998.db2.gz GIYHTDPKIPSNEX-VNQPRFMTSA-N 2 2 339.823 2.495 20 5 EEBDLP C[C@H](C[NH+](C)C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006122 797193924 /nfs/dbraw/zinc/19/39/24/797193924.db2.gz MXIJCNIOHGZJIT-LLVKDONJSA-N 2 2 342.390 2.382 20 5 EEBDLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549659 243153307 /nfs/dbraw/zinc/15/33/07/243153307.db2.gz PZCDFVLAEGNPDA-MAUKXSAKSA-N 2 2 333.432 2.229 20 5 EEBDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549659 243153310 /nfs/dbraw/zinc/15/33/10/243153310.db2.gz PZCDFVLAEGNPDA-MAUKXSAKSA-N 2 2 333.432 2.229 20 5 EEBDLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549659 243153311 /nfs/dbraw/zinc/15/33/11/243153311.db2.gz PZCDFVLAEGNPDA-MAUKXSAKSA-N 2 2 333.432 2.229 20 5 EEBDLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549659 243153314 /nfs/dbraw/zinc/15/33/14/243153314.db2.gz PZCDFVLAEGNPDA-MAUKXSAKSA-N 2 2 333.432 2.229 20 5 EEBDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360256013 164269283 /nfs/dbraw/zinc/26/92/83/164269283.db2.gz XERHTMUGOLZSEZ-KGLIPLIRSA-N 2 2 335.404 2.328 20 5 EEBDLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360256013 164269285 /nfs/dbraw/zinc/26/92/85/164269285.db2.gz XERHTMUGOLZSEZ-KGLIPLIRSA-N 2 2 335.404 2.328 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NCCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423549574 303003687 /nfs/dbraw/zinc/00/36/87/303003687.db2.gz HUBOYVYCKPONEX-MRXNPFEDSA-N 2 2 329.404 2.149 20 5 EEBDLP CN(c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000069810874 463330077 /nfs/dbraw/zinc/33/00/77/463330077.db2.gz OPVKDXRGCLTVMI-OAHLLOKOSA-N 2 2 336.411 2.339 20 5 EEBDLP CN(c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000069810874 463330083 /nfs/dbraw/zinc/33/00/83/463330083.db2.gz OPVKDXRGCLTVMI-OAHLLOKOSA-N 2 2 336.411 2.339 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348523880 465652028 /nfs/dbraw/zinc/65/20/28/465652028.db2.gz BKONITWUIYKXNI-ZDUSSCGKSA-N 2 2 343.387 2.444 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348523880 465652038 /nfs/dbraw/zinc/65/20/38/465652038.db2.gz BKONITWUIYKXNI-ZDUSSCGKSA-N 2 2 343.387 2.444 20 5 EEBDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000363354116 466362313 /nfs/dbraw/zinc/36/23/13/466362313.db2.gz XQQYARFBKCPXRB-AWEZNQCLSA-N 2 2 330.392 2.071 20 5 EEBDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000363354116 466362320 /nfs/dbraw/zinc/36/23/20/466362320.db2.gz XQQYARFBKCPXRB-AWEZNQCLSA-N 2 2 330.392 2.071 20 5 EEBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000373462114 466811270 /nfs/dbraw/zinc/81/12/70/466811270.db2.gz YGERPJFVBWNYPJ-HOCLYGCPSA-N 2 2 343.431 2.329 20 5 EEBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000373462114 466811273 /nfs/dbraw/zinc/81/12/73/466811273.db2.gz YGERPJFVBWNYPJ-HOCLYGCPSA-N 2 2 343.431 2.329 20 5 EEBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)o2)c1 ZINC000420339001 467367274 /nfs/dbraw/zinc/36/72/74/467367274.db2.gz LIYGYFGYEYNMDU-HIFRSBDPSA-N 2 2 328.372 2.086 20 5 EEBDLP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]43)o2)c1 ZINC000420339001 467367280 /nfs/dbraw/zinc/36/72/80/467367280.db2.gz LIYGYFGYEYNMDU-HIFRSBDPSA-N 2 2 328.372 2.086 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000420355094 467375442 /nfs/dbraw/zinc/37/54/42/467375442.db2.gz BQAKTULWPPVYAB-YPHNTLSLSA-N 2 2 334.420 2.206 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)CCC2 ZINC000453250401 467469966 /nfs/dbraw/zinc/46/99/66/467469966.db2.gz ACUUZJPPOAULIE-WMZOPIPTSA-N 2 2 333.432 2.409 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000453250401 467469971 /nfs/dbraw/zinc/46/99/71/467469971.db2.gz ACUUZJPPOAULIE-WMZOPIPTSA-N 2 2 333.432 2.409 20 5 EEBDLP CCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000431064709 467492093 /nfs/dbraw/zinc/49/20/93/467492093.db2.gz FNWYYERFSNMLSM-UHFFFAOYSA-N 2 2 334.420 2.022 20 5 EEBDLP CCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000431064709 467492097 /nfs/dbraw/zinc/49/20/97/467492097.db2.gz FNWYYERFSNMLSM-UHFFFAOYSA-N 2 2 334.420 2.022 20 5 EEBDLP CC[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000592488721 468709432 /nfs/dbraw/zinc/70/94/32/468709432.db2.gz MMBWGFKQVOGBCS-BXUZGUMPSA-N 2 2 331.376 2.204 20 5 EEBDLP CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000592488721 468709435 /nfs/dbraw/zinc/70/94/35/468709435.db2.gz MMBWGFKQVOGBCS-BXUZGUMPSA-N 2 2 331.376 2.204 20 5 EEBDLP CC(C)(CO)[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601115783 468746449 /nfs/dbraw/zinc/74/64/49/468746449.db2.gz CDTRTRUHNNTRJT-UHFFFAOYSA-N 2 2 330.388 2.036 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028586 577589179 /nfs/dbraw/zinc/58/91/79/577589179.db2.gz GOUOSTQFJKPMLP-ZBFHGGJFSA-N 2 2 330.388 2.241 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000770028586 577589180 /nfs/dbraw/zinc/58/91/80/577589180.db2.gz GOUOSTQFJKPMLP-ZBFHGGJFSA-N 2 2 330.388 2.241 20 5 EEBDLP Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168746447 802942349 /nfs/dbraw/zinc/94/23/49/802942349.db2.gz QDGKAXDDMMIZHD-UHFFFAOYSA-N 2 2 335.408 2.284 20 5 EEBDLP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000249068428 160372898 /nfs/dbraw/zinc/37/28/98/160372898.db2.gz ZUXWNENINLTYIE-RDJZCZTQSA-N 2 2 335.448 2.210 20 5 EEBDLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000249068428 160372900 /nfs/dbraw/zinc/37/29/00/160372900.db2.gz ZUXWNENINLTYIE-RDJZCZTQSA-N 2 2 335.448 2.210 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000346326223 161363422 /nfs/dbraw/zinc/36/34/22/161363422.db2.gz KDEVABHUHBRQRJ-IOASZLSFSA-N 2 2 334.420 2.384 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346326223 161363423 /nfs/dbraw/zinc/36/34/23/161363423.db2.gz KDEVABHUHBRQRJ-IOASZLSFSA-N 2 2 334.420 2.384 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352924854 312387948 /nfs/dbraw/zinc/38/79/48/312387948.db2.gz MCPHDHFCQSJHSD-MZBDJJRSSA-N 2 2 346.431 2.399 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352924854 312387950 /nfs/dbraw/zinc/38/79/50/312387950.db2.gz MCPHDHFCQSJHSD-MZBDJJRSSA-N 2 2 346.431 2.399 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352924854 312387952 /nfs/dbraw/zinc/38/79/52/312387952.db2.gz MCPHDHFCQSJHSD-MZBDJJRSSA-N 2 2 346.431 2.399 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352924854 312387954 /nfs/dbraw/zinc/38/79/54/312387954.db2.gz MCPHDHFCQSJHSD-MZBDJJRSSA-N 2 2 346.431 2.399 20 5 EEBDLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000355201559 465233038 /nfs/dbraw/zinc/23/30/38/465233038.db2.gz BGSRYUUMNHZPHH-RVKKMQEKSA-N 2 2 349.431 2.287 20 5 EEBDLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000355201559 465233043 /nfs/dbraw/zinc/23/30/43/465233043.db2.gz BGSRYUUMNHZPHH-RVKKMQEKSA-N 2 2 349.431 2.287 20 5 EEBDLP Cc1c(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000069803484 463328020 /nfs/dbraw/zinc/32/80/20/463328020.db2.gz GWWZQGKMNZJTBU-INIZCTEOSA-N 2 2 333.432 2.447 20 5 EEBDLP Cc1c(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000069803484 463328023 /nfs/dbraw/zinc/32/80/23/463328023.db2.gz GWWZQGKMNZJTBU-INIZCTEOSA-N 2 2 333.432 2.447 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152428583 463689626 /nfs/dbraw/zinc/68/96/26/463689626.db2.gz CPEQNJHXMIYQMW-AWEZNQCLSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152428583 463689629 /nfs/dbraw/zinc/68/96/29/463689629.db2.gz CPEQNJHXMIYQMW-AWEZNQCLSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152428583 463689630 /nfs/dbraw/zinc/68/96/30/463689630.db2.gz CPEQNJHXMIYQMW-AWEZNQCLSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152428583 463689632 /nfs/dbraw/zinc/68/96/32/463689632.db2.gz CPEQNJHXMIYQMW-AWEZNQCLSA-N 2 2 334.420 2.115 20 5 EEBDLP C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362080236 466539133 /nfs/dbraw/zinc/53/91/33/466539133.db2.gz RJXKBXDMBGOKQG-YJBOKZPZSA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362080236 466539137 /nfs/dbraw/zinc/53/91/37/466539137.db2.gz RJXKBXDMBGOKQG-YJBOKZPZSA-N 2 2 332.448 2.053 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000611273641 469218097 /nfs/dbraw/zinc/21/80/97/469218097.db2.gz XAQMCLMTMHJHJM-CQSZACIVSA-N 2 2 347.415 2.284 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000611273641 469218100 /nfs/dbraw/zinc/21/81/00/469218100.db2.gz XAQMCLMTMHJHJM-CQSZACIVSA-N 2 2 347.415 2.284 20 5 EEBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000430595953 485703584 /nfs/dbraw/zinc/70/35/84/485703584.db2.gz NDTJKFPIZJHFNM-KGLIPLIRSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000430595953 485703588 /nfs/dbraw/zinc/70/35/88/485703588.db2.gz NDTJKFPIZJHFNM-KGLIPLIRSA-N 2 2 332.404 2.058 20 5 EEBDLP COc1c(O)ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000892227442 678280588 /nfs/dbraw/zinc/28/05/88/678280588.db2.gz KJNZCNDOJKOHTB-JSGCOSHPSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1[N+](=O)[O-] ZINC000892227442 678280591 /nfs/dbraw/zinc/28/05/91/678280591.db2.gz KJNZCNDOJKOHTB-JSGCOSHPSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000892227442 678280595 /nfs/dbraw/zinc/28/05/95/678280595.db2.gz KJNZCNDOJKOHTB-JSGCOSHPSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1c(O)ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000892227442 678280599 /nfs/dbraw/zinc/28/05/99/678280599.db2.gz KJNZCNDOJKOHTB-JSGCOSHPSA-N 2 2 335.404 2.225 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1F ZINC001246566255 1310345543 /nfs/dbraw/zinc/34/55/43/1310345543.db2.gz FMNIZNRNIKTIAU-UHTWSYAYSA-N 2 2 343.374 2.435 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1F ZINC001246566255 1310345555 /nfs/dbraw/zinc/34/55/55/1310345555.db2.gz FMNIZNRNIKTIAU-UHTWSYAYSA-N 2 2 343.374 2.435 20 5 EEBDLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1 ZINC001158260238 1319119459 /nfs/dbraw/zinc/11/94/59/1319119459.db2.gz YZJFMGNFRIKHKR-ZDUSSCGKSA-N 2 2 341.415 2.145 20 5 EEBDLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1 ZINC001158260238 1319119468 /nfs/dbraw/zinc/11/94/68/1319119468.db2.gz YZJFMGNFRIKHKR-ZDUSSCGKSA-N 2 2 341.415 2.145 20 5 EEBDLP Cc1cc(NC[C@](C)(O)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301761303 294890929 /nfs/dbraw/zinc/89/09/29/294890929.db2.gz CSNCIIBOSDAWTN-KRWDZBQOSA-N 2 2 345.403 2.085 20 5 EEBDLP O=C(CC[NH2+]CCCCn1cc[nH+]c1)Nc1ccccc1[N+](=O)[O-] ZINC000568975737 319534891 /nfs/dbraw/zinc/53/48/91/319534891.db2.gz LEUGMNYTFJYWTG-UHFFFAOYSA-N 2 2 331.376 2.190 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152381592 463682744 /nfs/dbraw/zinc/68/27/44/463682744.db2.gz MHZNLSFFNYPXKD-CQSZACIVSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152381592 463682747 /nfs/dbraw/zinc/68/27/47/463682747.db2.gz MHZNLSFFNYPXKD-CQSZACIVSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152381592 463682749 /nfs/dbraw/zinc/68/27/49/463682749.db2.gz MHZNLSFFNYPXKD-CQSZACIVSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152381592 463682753 /nfs/dbraw/zinc/68/27/53/463682753.db2.gz MHZNLSFFNYPXKD-CQSZACIVSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175057264 464487199 /nfs/dbraw/zinc/48/71/99/464487199.db2.gz CZASIBKYOIHARV-UHFFFAOYSA-N 2 2 349.435 2.051 20 5 EEBDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244424 464729885 /nfs/dbraw/zinc/72/98/85/464729885.db2.gz HRZQRCFRBCAGCO-JKSUJKDBSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244424 464729893 /nfs/dbraw/zinc/72/98/93/464729893.db2.gz HRZQRCFRBCAGCO-JKSUJKDBSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244424 464729897 /nfs/dbraw/zinc/72/98/97/464729897.db2.gz HRZQRCFRBCAGCO-JKSUJKDBSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244424 464729902 /nfs/dbraw/zinc/72/99/02/464729902.db2.gz HRZQRCFRBCAGCO-JKSUJKDBSA-N 2 2 335.452 2.378 20 5 EEBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)o1 ZINC000415031768 467471158 /nfs/dbraw/zinc/47/11/58/467471158.db2.gz FIRJVLCWKGMEQM-AWEZNQCLSA-N 2 2 331.372 2.323 20 5 EEBDLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000430954915 467481700 /nfs/dbraw/zinc/48/17/00/467481700.db2.gz YEFNBUSQEAKJPW-SNVBAGLBSA-N 2 2 345.346 2.246 20 5 EEBDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000430954915 467481705 /nfs/dbraw/zinc/48/17/05/467481705.db2.gz YEFNBUSQEAKJPW-SNVBAGLBSA-N 2 2 345.346 2.246 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449395682 467638310 /nfs/dbraw/zinc/63/83/10/467638310.db2.gz JVQDNRSGAUZDDA-GSPCDJLXSA-N 2 2 333.432 2.435 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449395682 467638311 /nfs/dbraw/zinc/63/83/11/467638311.db2.gz JVQDNRSGAUZDDA-GSPCDJLXSA-N 2 2 333.432 2.435 20 5 EEBDLP C[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000488996698 468115927 /nfs/dbraw/zinc/11/59/27/468115927.db2.gz ZHZSJIBGGHYNDT-AWEZNQCLSA-N 2 2 336.436 2.037 20 5 EEBDLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601165394 468767427 /nfs/dbraw/zinc/76/74/27/468767427.db2.gz NTFCOSPSOZYRQK-UKRRQHHQSA-N 2 2 342.399 2.442 20 5 EEBDLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000593728965 469111267 /nfs/dbraw/zinc/11/12/67/469111267.db2.gz BOMKYRVQOOZABQ-GUYCJALGSA-N 2 2 343.387 2.206 20 5 EEBDLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000593728965 469111272 /nfs/dbraw/zinc/11/12/72/469111272.db2.gz BOMKYRVQOOZABQ-GUYCJALGSA-N 2 2 343.387 2.206 20 5 EEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611244106 469208094 /nfs/dbraw/zinc/20/80/94/469208094.db2.gz AXGLRTQEFNGFKB-GUYCJALGSA-N 2 2 346.431 2.070 20 5 EEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611244106 469208099 /nfs/dbraw/zinc/20/80/99/469208099.db2.gz AXGLRTQEFNGFKB-GUYCJALGSA-N 2 2 346.431 2.070 20 5 EEBDLP CN(C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609257942 469908055 /nfs/dbraw/zinc/90/80/55/469908055.db2.gz HLEZYFGBKUVSDY-MRXNPFEDSA-N 2 2 343.387 2.091 20 5 EEBDLP CN(C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609257942 469908057 /nfs/dbraw/zinc/90/80/57/469908057.db2.gz HLEZYFGBKUVSDY-MRXNPFEDSA-N 2 2 343.387 2.091 20 5 EEBDLP CN(CCCC[NH+](C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610112124 469981759 /nfs/dbraw/zinc/98/17/59/469981759.db2.gz YANKQEXBAFCMIK-UHFFFAOYSA-N 2 2 345.403 2.194 20 5 EEBDLP Cc1nn(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954899 577984698 /nfs/dbraw/zinc/98/46/98/577984698.db2.gz PNTWXQVOTJBMAP-AWEZNQCLSA-N 2 2 344.419 2.023 20 5 EEBDLP Cc1nn(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954899 577984699 /nfs/dbraw/zinc/98/46/99/577984699.db2.gz PNTWXQVOTJBMAP-AWEZNQCLSA-N 2 2 344.419 2.023 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1F ZINC001246084597 1310232929 /nfs/dbraw/zinc/23/29/29/1310232929.db2.gz KUXBLVULAFIINN-TUAOUCFPSA-N 2 2 325.384 2.404 20 5 EEBDLP Cc1[nH+]c(N)ccc1CNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001156981216 1318324798 /nfs/dbraw/zinc/32/47/98/1318324798.db2.gz UNIUBHMNHQNOEB-VOTSOKGWSA-N 2 2 328.376 2.420 20 5 EEBDLP CC(C)C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001335350007 1336366096 /nfs/dbraw/zinc/36/60/96/1336366096.db2.gz AKOSWICKWWFBBZ-CQSZACIVSA-N 2 2 336.436 2.489 20 5 EEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001168967904 803553159 /nfs/dbraw/zinc/55/31/59/803553159.db2.gz UMKJLCWSPGIYRB-QZTJIDSGSA-N 2 2 333.432 2.054 20 5 EEBDLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008247 803569310 /nfs/dbraw/zinc/56/93/10/803569310.db2.gz SKUUDBRLXHBCQC-AKHDSKFASA-N 2 2 347.459 2.311 20 5 EEBDLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008247 803569315 /nfs/dbraw/zinc/56/93/15/803569315.db2.gz SKUUDBRLXHBCQC-AKHDSKFASA-N 2 2 347.459 2.311 20 5 EEBDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000131484502 223238635 /nfs/dbraw/zinc/23/86/35/223238635.db2.gz ZNIZWYHEQOYNON-KRWDZBQOSA-N 2 2 333.388 2.257 20 5 EEBDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000266092892 248091319 /nfs/dbraw/zinc/09/13/19/248091319.db2.gz IPNWSDYFTZEGLR-CYBMUJFWSA-N 2 2 334.420 2.304 20 5 EEBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093770304 218248874 /nfs/dbraw/zinc/24/88/74/218248874.db2.gz RMYQAZSWQSATBX-CYBMUJFWSA-N 2 2 337.420 2.386 20 5 EEBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093770304 218248876 /nfs/dbraw/zinc/24/88/76/218248876.db2.gz RMYQAZSWQSATBX-CYBMUJFWSA-N 2 2 337.420 2.386 20 5 EEBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093770304 218248878 /nfs/dbraw/zinc/24/88/78/218248878.db2.gz RMYQAZSWQSATBX-CYBMUJFWSA-N 2 2 337.420 2.386 20 5 EEBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000093770304 218248880 /nfs/dbraw/zinc/24/88/80/218248880.db2.gz RMYQAZSWQSATBX-CYBMUJFWSA-N 2 2 337.420 2.386 20 5 EEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000447596269 296518784 /nfs/dbraw/zinc/51/87/84/296518784.db2.gz CCRXLPJMFIRIQL-HZSPNIEDSA-N 2 2 330.392 2.076 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422640506 314298210 /nfs/dbraw/zinc/29/82/10/314298210.db2.gz VQYWARDCKPRTEA-UBHSHLNASA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422640506 314298213 /nfs/dbraw/zinc/29/82/13/314298213.db2.gz VQYWARDCKPRTEA-UBHSHLNASA-N 2 2 334.420 2.147 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000292686432 464308445 /nfs/dbraw/zinc/30/84/45/464308445.db2.gz BCALWLAPJWBJKS-KRWDZBQOSA-N 2 2 335.404 2.140 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000292686432 464308452 /nfs/dbraw/zinc/30/84/52/464308452.db2.gz BCALWLAPJWBJKS-KRWDZBQOSA-N 2 2 335.404 2.140 20 5 EEBDLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000292686432 464308459 /nfs/dbraw/zinc/30/84/59/464308459.db2.gz BCALWLAPJWBJKS-KRWDZBQOSA-N 2 2 335.404 2.140 20 5 EEBDLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000292686432 464308466 /nfs/dbraw/zinc/30/84/66/464308466.db2.gz BCALWLAPJWBJKS-KRWDZBQOSA-N 2 2 335.404 2.140 20 5 EEBDLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000356742818 465516997 /nfs/dbraw/zinc/51/69/97/465516997.db2.gz NIWKDZKXPXZMDW-ZDUSSCGKSA-N 2 2 345.403 2.239 20 5 EEBDLP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000356742818 465516998 /nfs/dbraw/zinc/51/69/98/465516998.db2.gz NIWKDZKXPXZMDW-ZDUSSCGKSA-N 2 2 345.403 2.239 20 5 EEBDLP C[C@H]1C[N@H+](CCCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000413257730 467198788 /nfs/dbraw/zinc/19/87/88/467198788.db2.gz DBPBYNVFWPTUNY-AWEZNQCLSA-N 2 2 344.415 3.056 20 5 EEBDLP C[C@H]1C[N@@H+](CCCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000413257730 467198793 /nfs/dbraw/zinc/19/87/93/467198793.db2.gz DBPBYNVFWPTUNY-AWEZNQCLSA-N 2 2 344.415 3.056 20 5 EEBDLP CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000448980443 467610279 /nfs/dbraw/zinc/61/02/79/467610279.db2.gz PFRJVOBAQPTHQG-UHFFFAOYSA-N 2 2 345.403 2.241 20 5 EEBDLP CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000448980443 467610280 /nfs/dbraw/zinc/61/02/80/467610280.db2.gz PFRJVOBAQPTHQG-UHFFFAOYSA-N 2 2 345.403 2.241 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595472320 468866664 /nfs/dbraw/zinc/86/66/64/468866664.db2.gz KXCLCJPMMIGCID-INIZCTEOSA-N 2 2 349.431 2.290 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595472320 468866669 /nfs/dbraw/zinc/86/66/69/468866669.db2.gz KXCLCJPMMIGCID-INIZCTEOSA-N 2 2 349.431 2.290 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1F ZINC001246566256 1310346130 /nfs/dbraw/zinc/34/61/30/1310346130.db2.gz FMNIZNRNIKTIAU-WCFLWFBJSA-N 2 2 343.374 2.435 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1F ZINC001246566256 1310346140 /nfs/dbraw/zinc/34/61/40/1310346140.db2.gz FMNIZNRNIKTIAU-WCFLWFBJSA-N 2 2 343.374 2.435 20 5 EEBDLP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000823305881 787664011 /nfs/dbraw/zinc/66/40/11/787664011.db2.gz OWEBRYPUDNHYBB-CQSZACIVSA-N 2 2 345.403 2.097 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000370062747 166386626 /nfs/dbraw/zinc/38/66/26/166386626.db2.gz LXYDEWWNNXILKI-ZDUSSCGKSA-N 2 2 343.387 2.146 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000370062747 166386628 /nfs/dbraw/zinc/38/66/28/166386628.db2.gz LXYDEWWNNXILKI-ZDUSSCGKSA-N 2 2 343.387 2.146 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420359277 280662441 /nfs/dbraw/zinc/66/24/41/280662441.db2.gz KGHKQUBFOVXZOL-INIZCTEOSA-N 2 2 334.420 2.339 20 5 EEBDLP CC1CC[NH+](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000564845295 319117515 /nfs/dbraw/zinc/11/75/15/319117515.db2.gz SGFTWRVZELEBPL-UHFFFAOYSA-N 2 2 334.420 2.245 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350953258 465046133 /nfs/dbraw/zinc/04/61/33/465046133.db2.gz VVVFHKWGJTWSGR-UHFFFAOYSA-N 2 2 334.420 2.115 20 5 EEBDLP CC1(C)C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000090191997 462785821 /nfs/dbraw/zinc/78/58/21/462785821.db2.gz BHFNJWQYIHMITI-INIZCTEOSA-N 2 2 343.431 2.434 20 5 EEBDLP CC1(C)C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000090191997 462785826 /nfs/dbraw/zinc/78/58/26/462785826.db2.gz BHFNJWQYIHMITI-INIZCTEOSA-N 2 2 343.431 2.434 20 5 EEBDLP CN(c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000069739101 463314619 /nfs/dbraw/zinc/31/46/19/463314619.db2.gz KYTZZVQEEMVERR-OAHLLOKOSA-N 2 2 336.411 2.339 20 5 EEBDLP CN(c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000069739101 463314621 /nfs/dbraw/zinc/31/46/21/463314621.db2.gz KYTZZVQEEMVERR-OAHLLOKOSA-N 2 2 336.411 2.339 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357084349 465756280 /nfs/dbraw/zinc/75/62/80/465756280.db2.gz PVCCXLHRFUGZEC-JQWIXIFHSA-N 2 2 327.331 2.238 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357084349 465756288 /nfs/dbraw/zinc/75/62/88/465756288.db2.gz PVCCXLHRFUGZEC-JQWIXIFHSA-N 2 2 327.331 2.238 20 5 EEBDLP C[C@H](Cn1cc[nH+]c1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000357308830 465932736 /nfs/dbraw/zinc/93/27/36/465932736.db2.gz XCKAWYNPWIDLJI-CQSZACIVSA-N 2 2 345.403 2.124 20 5 EEBDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000340291928 465958930 /nfs/dbraw/zinc/95/89/30/465958930.db2.gz YFRMAOXHZPPNRU-UHFFFAOYSA-N 2 2 330.388 2.489 20 5 EEBDLP Cc1c(NC(=O)CC[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000435243892 467454558 /nfs/dbraw/zinc/45/45/58/467454558.db2.gz AYADIZNMYGCIAQ-CQSZACIVSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1c(NC(=O)CC[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000435243892 467454561 /nfs/dbraw/zinc/45/45/61/467454561.db2.gz AYADIZNMYGCIAQ-CQSZACIVSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1cc(N[C@@H]2CCC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601985815 469129322 /nfs/dbraw/zinc/12/93/22/469129322.db2.gz YWEWAMJKWSXZIE-CQSZACIVSA-N 2 2 327.388 2.336 20 5 EEBDLP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[N@@H+]1C1CC1 ZINC000602568231 469363778 /nfs/dbraw/zinc/36/37/78/469363778.db2.gz KAAFKHWMUMEEFJ-DZGCQCFKSA-N 2 2 345.447 2.173 20 5 EEBDLP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[N@H+]1C1CC1 ZINC000602568231 469363783 /nfs/dbraw/zinc/36/37/83/469363783.db2.gz KAAFKHWMUMEEFJ-DZGCQCFKSA-N 2 2 345.447 2.173 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258091 469907652 /nfs/dbraw/zinc/90/76/52/469907652.db2.gz LUDHCTLSPUSOKP-HNNXBMFYSA-N 2 2 343.387 2.375 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258091 469907658 /nfs/dbraw/zinc/90/76/58/469907658.db2.gz LUDHCTLSPUSOKP-HNNXBMFYSA-N 2 2 343.387 2.375 20 5 EEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000866364145 1201500423 /nfs/dbraw/zinc/50/04/23/1201500423.db2.gz AWXFBVRNXBISKM-XJKSGUPXSA-N 2 2 339.411 2.101 20 5 EEBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000866364145 1201500426 /nfs/dbraw/zinc/50/04/26/1201500426.db2.gz AWXFBVRNXBISKM-XJKSGUPXSA-N 2 2 339.411 2.101 20 5 EEBDLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000343979595 161186170 /nfs/dbraw/zinc/18/61/70/161186170.db2.gz NVCMWMCIYOGBAQ-CQSZACIVSA-N 2 2 348.447 2.188 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423358954 303004662 /nfs/dbraw/zinc/00/46/62/303004662.db2.gz CMWWYUKRLQPDBV-SQWLQELKSA-N 2 2 329.404 2.277 20 5 EEBDLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156488698 463031492 /nfs/dbraw/zinc/03/14/92/463031492.db2.gz CEWMGCHOJRQECM-BBRMVZONSA-N 2 2 343.387 2.313 20 5 EEBDLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156488698 463031497 /nfs/dbraw/zinc/03/14/97/463031497.db2.gz CEWMGCHOJRQECM-BBRMVZONSA-N 2 2 343.387 2.313 20 5 EEBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069802589 463327580 /nfs/dbraw/zinc/32/75/80/463327580.db2.gz VIEJPWCUKMRJFT-INIZCTEOSA-N 2 2 349.431 2.018 20 5 EEBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069802589 463327582 /nfs/dbraw/zinc/32/75/82/463327582.db2.gz VIEJPWCUKMRJFT-INIZCTEOSA-N 2 2 349.431 2.018 20 5 EEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000124467274 463427300 /nfs/dbraw/zinc/42/73/00/463427300.db2.gz IZXTVWOFWWXJQR-UHFFFAOYSA-N 2 2 342.359 2.363 20 5 EEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000124467274 463427302 /nfs/dbraw/zinc/42/73/02/463427302.db2.gz IZXTVWOFWWXJQR-UHFFFAOYSA-N 2 2 342.359 2.363 20 5 EEBDLP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268965974 463830216 /nfs/dbraw/zinc/83/02/16/463830216.db2.gz YJPCWPWFLBSYCV-IAGOWNOFSA-N 2 2 348.447 2.365 20 5 EEBDLP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000268965974 463830220 /nfs/dbraw/zinc/83/02/20/463830220.db2.gz YJPCWPWFLBSYCV-IAGOWNOFSA-N 2 2 348.447 2.365 20 5 EEBDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000174863708 464459577 /nfs/dbraw/zinc/45/95/77/464459577.db2.gz FQAKUFPYDUHVGE-MRXNPFEDSA-N 2 2 335.452 2.235 20 5 EEBDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000174863708 464459582 /nfs/dbraw/zinc/45/95/82/464459582.db2.gz FQAKUFPYDUHVGE-MRXNPFEDSA-N 2 2 335.452 2.235 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000265508205 464584925 /nfs/dbraw/zinc/58/49/25/464584925.db2.gz QRVLRGZHCTYDQA-KBPBESRZSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000265508205 464584930 /nfs/dbraw/zinc/58/49/30/464584930.db2.gz QRVLRGZHCTYDQA-KBPBESRZSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000265508205 464584938 /nfs/dbraw/zinc/58/49/38/464584938.db2.gz QRVLRGZHCTYDQA-KBPBESRZSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265508205 464584942 /nfs/dbraw/zinc/58/49/42/464584942.db2.gz QRVLRGZHCTYDQA-KBPBESRZSA-N 2 2 334.420 2.195 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294262 465692954 /nfs/dbraw/zinc/69/29/54/465692954.db2.gz JQQPCTJKFWKONU-UWWQBHOKSA-N 2 2 349.431 2.287 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294262 465692959 /nfs/dbraw/zinc/69/29/59/465692959.db2.gz JQQPCTJKFWKONU-UWWQBHOKSA-N 2 2 349.431 2.287 20 5 EEBDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C1)CCCC2 ZINC000432083032 467214290 /nfs/dbraw/zinc/21/42/90/467214290.db2.gz VMVBPUFEMFESQB-CYBMUJFWSA-N 2 2 344.419 2.159 20 5 EEBDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C1)CCCC2 ZINC000432083032 467214296 /nfs/dbraw/zinc/21/42/96/467214296.db2.gz VMVBPUFEMFESQB-CYBMUJFWSA-N 2 2 344.419 2.159 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000595018558 468743574 /nfs/dbraw/zinc/74/35/74/468743574.db2.gz RVHRMDQGHPCCCM-CYBMUJFWSA-N 2 2 337.420 2.101 20 5 EEBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274811 469217483 /nfs/dbraw/zinc/21/74/83/469217483.db2.gz WBQRRHQYESCTAI-CYBMUJFWSA-N 2 2 335.404 2.140 20 5 EEBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274811 469217486 /nfs/dbraw/zinc/21/74/86/469217486.db2.gz WBQRRHQYESCTAI-CYBMUJFWSA-N 2 2 335.404 2.140 20 5 EEBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274811 469217490 /nfs/dbraw/zinc/21/74/90/469217490.db2.gz WBQRRHQYESCTAI-CYBMUJFWSA-N 2 2 335.404 2.140 20 5 EEBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274811 469217494 /nfs/dbraw/zinc/21/74/94/469217494.db2.gz WBQRRHQYESCTAI-CYBMUJFWSA-N 2 2 335.404 2.140 20 5 EEBDLP O=C(CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609258023 469907287 /nfs/dbraw/zinc/90/72/87/469907287.db2.gz IQOAZDSIUCTBOD-INIZCTEOSA-N 2 2 343.387 2.457 20 5 EEBDLP O=C(CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609258023 469907291 /nfs/dbraw/zinc/90/72/91/469907291.db2.gz IQOAZDSIUCTBOD-INIZCTEOSA-N 2 2 343.387 2.457 20 5 EEBDLP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCn3cc[nH+]c3C2)n1 ZINC000447596267 242292395 /nfs/dbraw/zinc/29/23/95/242292395.db2.gz CCRXLPJMFIRIQL-BFHYXJOUSA-N 2 2 330.392 2.076 20 5 EEBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000270558875 256148018 /nfs/dbraw/zinc/14/80/18/256148018.db2.gz WSDYCNDPACGFMY-UHFFFAOYSA-N 2 2 335.795 2.304 20 5 EEBDLP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c([N+](=O)[O-])cc1OC ZINC000092253625 286217646 /nfs/dbraw/zinc/21/76/46/286217646.db2.gz SZTRPGYOEWMWBW-CYBMUJFWSA-N 2 2 337.420 2.386 20 5 EEBDLP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c([N+](=O)[O-])cc1OC ZINC000092253625 286217647 /nfs/dbraw/zinc/21/76/47/286217647.db2.gz SZTRPGYOEWMWBW-CYBMUJFWSA-N 2 2 337.420 2.386 20 5 EEBDLP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000092253625 286217648 /nfs/dbraw/zinc/21/76/48/286217648.db2.gz SZTRPGYOEWMWBW-CYBMUJFWSA-N 2 2 337.420 2.386 20 5 EEBDLP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000092253625 286217649 /nfs/dbraw/zinc/21/76/49/286217649.db2.gz SZTRPGYOEWMWBW-CYBMUJFWSA-N 2 2 337.420 2.386 20 5 EEBDLP C[N@@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000577633613 320267585 /nfs/dbraw/zinc/26/75/85/320267585.db2.gz QXWMMHPKUQBUET-ZDUSSCGKSA-N 2 2 346.456 2.398 20 5 EEBDLP C[N@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C[NH3+])C1 ZINC000577633613 320267586 /nfs/dbraw/zinc/26/75/86/320267586.db2.gz QXWMMHPKUQBUET-ZDUSSCGKSA-N 2 2 346.456 2.398 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344555129 465672963 /nfs/dbraw/zinc/67/29/63/465672963.db2.gz XVZJYLKBUGHPDN-LJQANCHMSA-N 2 2 341.411 2.321 20 5 EEBDLP C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367026823 466080213 /nfs/dbraw/zinc/08/02/13/466080213.db2.gz DDCPDWHIKUAGFS-APWZRJJASA-N 2 2 346.475 2.095 20 5 EEBDLP C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367026823 466080222 /nfs/dbraw/zinc/08/02/22/466080222.db2.gz DDCPDWHIKUAGFS-APWZRJJASA-N 2 2 346.475 2.095 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591578253 468486096 /nfs/dbraw/zinc/48/60/96/468486096.db2.gz GSURHVCANYFNRT-ZBFHGGJFSA-N 2 2 329.404 2.149 20 5 EEBDLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459511240 467960838 /nfs/dbraw/zinc/96/08/38/467960838.db2.gz OTXGBPAFKCRBLL-UHFFFAOYSA-N 2 2 344.419 2.097 20 5 EEBDLP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000601147438 468761175 /nfs/dbraw/zinc/76/11/75/468761175.db2.gz NIKOIDLFCDMLDD-QWHCGFSZSA-N 2 2 330.388 2.034 20 5 EEBDLP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000601147438 468761181 /nfs/dbraw/zinc/76/11/81/468761181.db2.gz NIKOIDLFCDMLDD-QWHCGFSZSA-N 2 2 330.388 2.034 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCO2 ZINC000604532750 469488312 /nfs/dbraw/zinc/48/83/12/469488312.db2.gz BSLQCBFLPWJQES-UONOGXRCSA-N 2 2 333.388 2.082 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)OCCO2 ZINC000604532750 469488315 /nfs/dbraw/zinc/48/83/15/469488315.db2.gz BSLQCBFLPWJQES-UONOGXRCSA-N 2 2 333.388 2.082 20 5 EEBDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000617867838 469828334 /nfs/dbraw/zinc/82/83/34/469828334.db2.gz LXSCKRCYIAFUAW-AWEZNQCLSA-N 2 2 335.404 2.282 20 5 EEBDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000617867838 469828335 /nfs/dbraw/zinc/82/83/35/469828335.db2.gz LXSCKRCYIAFUAW-AWEZNQCLSA-N 2 2 335.404 2.282 20 5 EEBDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000609386044 469924798 /nfs/dbraw/zinc/92/47/98/469924798.db2.gz JUJCWYBKLHJZIN-AWEZNQCLSA-N 2 2 334.420 2.386 20 5 EEBDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000609386044 469924802 /nfs/dbraw/zinc/92/48/02/469924802.db2.gz JUJCWYBKLHJZIN-AWEZNQCLSA-N 2 2 334.420 2.386 20 5 EEBDLP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001168996051 803562417 /nfs/dbraw/zinc/56/24/17/803562417.db2.gz UNWOHRDCESHZHR-NVXWUHKLSA-N 2 2 333.432 2.392 20 5 EEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000271123879 256210201 /nfs/dbraw/zinc/21/02/01/256210201.db2.gz KAPDJYPKSFNBKG-HIFRSBDPSA-N 2 2 337.420 2.101 20 5 EEBDLP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000337230436 465256641 /nfs/dbraw/zinc/25/66/41/465256641.db2.gz STRNZSNIFRNFLT-KRWDZBQOSA-N 2 2 346.431 2.118 20 5 EEBDLP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000337230436 465256644 /nfs/dbraw/zinc/25/66/44/465256644.db2.gz STRNZSNIFRNFLT-KRWDZBQOSA-N 2 2 346.431 2.118 20 5 EEBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000194073784 463786792 /nfs/dbraw/zinc/78/67/92/463786792.db2.gz QYPWDFFRHUAGKW-DOMZBBRYSA-N 2 2 334.376 2.419 20 5 EEBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000194073784 463786796 /nfs/dbraw/zinc/78/67/96/463786796.db2.gz QYPWDFFRHUAGKW-DOMZBBRYSA-N 2 2 334.376 2.419 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000194073784 463786802 /nfs/dbraw/zinc/78/68/02/463786802.db2.gz QYPWDFFRHUAGKW-DOMZBBRYSA-N 2 2 334.376 2.419 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]21 ZINC000194073784 463786805 /nfs/dbraw/zinc/78/68/05/463786805.db2.gz QYPWDFFRHUAGKW-DOMZBBRYSA-N 2 2 334.376 2.419 20 5 EEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000269625726 464037927 /nfs/dbraw/zinc/03/79/27/464037927.db2.gz COHYHHUINYIHIR-CRAIPNDOSA-N 2 2 333.432 2.436 20 5 EEBDLP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000269625726 464037931 /nfs/dbraw/zinc/03/79/31/464037931.db2.gz COHYHHUINYIHIR-CRAIPNDOSA-N 2 2 333.432 2.436 20 5 EEBDLP COc1ccc(OCC[NH+]2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000173309245 464236592 /nfs/dbraw/zinc/23/65/92/464236592.db2.gz GLLYVOSZSPNYRD-UHFFFAOYSA-N 2 2 337.420 2.445 20 5 EEBDLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356919769 465628567 /nfs/dbraw/zinc/62/85/67/465628567.db2.gz ODAWLLGHZVZJLF-HNNXBMFYSA-N 2 2 341.415 2.322 20 5 EEBDLP Cn1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356919769 465628570 /nfs/dbraw/zinc/62/85/70/465628570.db2.gz ODAWLLGHZVZJLF-HNNXBMFYSA-N 2 2 341.415 2.322 20 5 EEBDLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423531256 466768365 /nfs/dbraw/zinc/76/83/65/466768365.db2.gz ZSKSFJFXGYBZIW-OALUTQOASA-N 2 2 340.427 2.177 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427877665 467183821 /nfs/dbraw/zinc/18/38/21/467183821.db2.gz TZSQHUCEBPJAGJ-OCCSQVGLSA-N 2 2 343.387 2.113 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589199534 469211555 /nfs/dbraw/zinc/21/15/55/469211555.db2.gz GZJALYWFHNDIFK-LBPRGKRZSA-N 2 2 344.371 2.089 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000589199534 469211560 /nfs/dbraw/zinc/21/15/60/469211560.db2.gz GZJALYWFHNDIFK-LBPRGKRZSA-N 2 2 344.371 2.089 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596648316 469321313 /nfs/dbraw/zinc/32/13/13/469321313.db2.gz OZYYBSBZHZBVCO-HNNXBMFYSA-N 2 2 329.404 2.279 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157352 469897664 /nfs/dbraw/zinc/89/76/64/469897664.db2.gz FKXHEQJSARYTCO-XJKSGUPXSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157352 469897669 /nfs/dbraw/zinc/89/76/69/469897669.db2.gz FKXHEQJSARYTCO-XJKSGUPXSA-N 2 2 343.387 2.455 20 5 EEBDLP Cc1nn(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501826 577557108 /nfs/dbraw/zinc/55/71/08/577557108.db2.gz XCVAQDISXBFMIP-BBRMVZONSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501826 577557109 /nfs/dbraw/zinc/55/71/09/577557109.db2.gz XCVAQDISXBFMIP-BBRMVZONSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501826 577557110 /nfs/dbraw/zinc/55/71/10/577557110.db2.gz XCVAQDISXBFMIP-BBRMVZONSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501826 577557111 /nfs/dbraw/zinc/55/71/11/577557111.db2.gz XCVAQDISXBFMIP-BBRMVZONSA-N 2 2 344.419 2.022 20 5 EEBDLP Cc1nn(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294580 577681258 /nfs/dbraw/zinc/68/12/58/577681258.db2.gz XVQRNEQEZXBDJH-ZDUSSCGKSA-N 2 2 340.387 2.433 20 5 EEBDLP Cc1nn(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294580 577681259 /nfs/dbraw/zinc/68/12/59/577681259.db2.gz XVQRNEQEZXBDJH-ZDUSSCGKSA-N 2 2 340.387 2.433 20 5 EEBDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850558865 1277266923 /nfs/dbraw/zinc/26/69/23/1277266923.db2.gz UXOYHZIJMIIFIS-SWLSCSKDSA-N 2 2 334.420 2.081 20 5 EEBDLP CC(C)Oc1nc(-n2c[nH+]cc2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001155063864 1317439409 /nfs/dbraw/zinc/43/94/09/1317439409.db2.gz HIEGLHSBTYDDLO-UHFFFAOYSA-N 2 2 331.376 2.430 20 5 EEBDLP CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001575530850 1343820093 /nfs/dbraw/zinc/82/00/93/1343820093.db2.gz ILFBRLXKSWOHKL-KRWDZBQOSA-N 2 2 345.403 2.274 20 5 EEBDLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000236788411 242357740 /nfs/dbraw/zinc/35/77/40/242357740.db2.gz KLDQYJZUGGYGIH-AWEZNQCLSA-N 2 2 345.403 2.226 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374430253 167041170 /nfs/dbraw/zinc/04/11/70/167041170.db2.gz RWKMPJBFQNOYDC-HYVNUMGLSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374430253 167041174 /nfs/dbraw/zinc/04/11/74/167041174.db2.gz RWKMPJBFQNOYDC-HYVNUMGLSA-N 2 2 337.395 2.417 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000297383384 294229050 /nfs/dbraw/zinc/22/90/50/294229050.db2.gz RGIPKZFJVAOOJU-MSOLQXFVSA-N 2 2 347.459 2.352 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000297383384 294229052 /nfs/dbraw/zinc/22/90/52/294229052.db2.gz RGIPKZFJVAOOJU-MSOLQXFVSA-N 2 2 347.459 2.352 20 5 EEBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278957834 464015370 /nfs/dbraw/zinc/01/53/70/464015370.db2.gz BBSIMBKZIXSFIV-WMLDXEAASA-N 2 2 332.448 2.153 20 5 EEBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278957834 464015376 /nfs/dbraw/zinc/01/53/76/464015376.db2.gz BBSIMBKZIXSFIV-WMLDXEAASA-N 2 2 332.448 2.153 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000377890102 467160303 /nfs/dbraw/zinc/16/03/03/467160303.db2.gz RVKSQPVQMIAFQR-GFCCVEGCSA-N 2 2 346.387 2.335 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])cc1OC ZINC000377890102 467160304 /nfs/dbraw/zinc/16/03/04/467160304.db2.gz RVKSQPVQMIAFQR-GFCCVEGCSA-N 2 2 346.387 2.335 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430584213 467445475 /nfs/dbraw/zinc/44/54/75/467445475.db2.gz ONUPGIVNQZYFQV-KGLIPLIRSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430584213 467445480 /nfs/dbraw/zinc/44/54/80/467445480.db2.gz ONUPGIVNQZYFQV-KGLIPLIRSA-N 2 2 332.404 2.058 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000415102677 467490580 /nfs/dbraw/zinc/49/05/80/467490580.db2.gz BISPXDCPOOUMCE-MRXNPFEDSA-N 2 2 331.372 2.404 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000415102677 467490581 /nfs/dbraw/zinc/49/05/81/467490581.db2.gz BISPXDCPOOUMCE-MRXNPFEDSA-N 2 2 331.372 2.404 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000595007744 468742413 /nfs/dbraw/zinc/74/24/13/468742413.db2.gz JNDOURIGYFLRCQ-KBPBESRZSA-N 2 2 337.420 2.222 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)OCCO2 ZINC000611268125 469214911 /nfs/dbraw/zinc/21/49/11/469214911.db2.gz PQVBDFYLNUCRAI-AWEZNQCLSA-N 2 2 344.371 2.400 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](n3cc[nH+]c3)C1)OCCO2 ZINC000611268125 469214916 /nfs/dbraw/zinc/21/49/16/469214916.db2.gz PQVBDFYLNUCRAI-AWEZNQCLSA-N 2 2 344.371 2.400 20 5 EEBDLP O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2c(c1)COCO2 ZINC000609257964 469907618 /nfs/dbraw/zinc/90/76/18/469907618.db2.gz HOGMWVRYGSNOTG-HNNXBMFYSA-N 2 2 344.371 2.495 20 5 EEBDLP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2c(c1)COCO2 ZINC000609257964 469907621 /nfs/dbraw/zinc/90/76/21/469907621.db2.gz HOGMWVRYGSNOTG-HNNXBMFYSA-N 2 2 344.371 2.495 20 5 EEBDLP C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000776590528 577463582 /nfs/dbraw/zinc/46/35/82/577463582.db2.gz HEFKPHSKALLHOK-COXVUDFISA-N 2 2 330.388 2.408 20 5 EEBDLP C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000776590528 577463583 /nfs/dbraw/zinc/46/35/83/577463583.db2.gz HEFKPHSKALLHOK-COXVUDFISA-N 2 2 330.388 2.408 20 5 EEBDLP Cc1cc([N+](=O)[O-])c(NCC2([NH+](C)C)CC[NH+](C)CC2)nc1Cl ZINC001156182332 1317910431 /nfs/dbraw/zinc/91/04/31/1317910431.db2.gz QBQCVGQPDZFAFH-UHFFFAOYSA-N 2 2 341.843 2.390 20 5 EEBDLP O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc2c[nH+]ccc2[nH]1 ZINC001130266057 811378158 /nfs/dbraw/zinc/37/81/58/811378158.db2.gz JXTPFIYAJHEEEW-UHFFFAOYSA-N 2 2 345.384 2.052 20 5 EEBDLP C[C@@H]1[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000447803872 242317675 /nfs/dbraw/zinc/31/76/75/242317675.db2.gz CGYJVQSENZEGOF-GDBMZVCRSA-N 2 2 348.447 2.322 20 5 EEBDLP C[C@@H]1[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000447803872 242317680 /nfs/dbraw/zinc/31/76/80/242317680.db2.gz CGYJVQSENZEGOF-GDBMZVCRSA-N 2 2 348.447 2.322 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246915024 160300994 /nfs/dbraw/zinc/30/09/94/160300994.db2.gz MTFYVIBNGJBYCB-CPUCHLNUSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246915024 160300995 /nfs/dbraw/zinc/30/09/95/160300995.db2.gz MTFYVIBNGJBYCB-CPUCHLNUSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246915024 160300996 /nfs/dbraw/zinc/30/09/96/160300996.db2.gz MTFYVIBNGJBYCB-CPUCHLNUSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246915024 160300997 /nfs/dbraw/zinc/30/09/97/160300997.db2.gz MTFYVIBNGJBYCB-CPUCHLNUSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247328154 160320514 /nfs/dbraw/zinc/32/05/14/160320514.db2.gz WSHKYJMGWAPUTH-YCPHGPKFSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247328154 160320516 /nfs/dbraw/zinc/32/05/16/160320516.db2.gz WSHKYJMGWAPUTH-YCPHGPKFSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247328154 160320517 /nfs/dbraw/zinc/32/05/17/160320517.db2.gz WSHKYJMGWAPUTH-YCPHGPKFSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247328154 160320519 /nfs/dbraw/zinc/32/05/19/160320519.db2.gz WSHKYJMGWAPUTH-YCPHGPKFSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000343979593 161186206 /nfs/dbraw/zinc/18/62/06/161186206.db2.gz NVCMWMCIYOGBAQ-AWEZNQCLSA-N 2 2 348.447 2.188 20 5 EEBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000248173173 277084014 /nfs/dbraw/zinc/08/40/14/277084014.db2.gz VDSIWVPGORJGLG-SUMWQHHRSA-N 2 2 347.415 2.377 20 5 EEBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000248173173 277084016 /nfs/dbraw/zinc/08/40/16/277084016.db2.gz VDSIWVPGORJGLG-SUMWQHHRSA-N 2 2 347.415 2.377 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000248173173 277084017 /nfs/dbraw/zinc/08/40/17/277084017.db2.gz VDSIWVPGORJGLG-SUMWQHHRSA-N 2 2 347.415 2.377 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]21 ZINC000248173173 277084018 /nfs/dbraw/zinc/08/40/18/277084018.db2.gz VDSIWVPGORJGLG-SUMWQHHRSA-N 2 2 347.415 2.377 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000522010744 468350033 /nfs/dbraw/zinc/35/00/33/468350033.db2.gz DPXRKMINGVFWGK-LLVKDONJSA-N 2 2 326.360 2.194 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000522010744 468350037 /nfs/dbraw/zinc/35/00/37/468350037.db2.gz DPXRKMINGVFWGK-LLVKDONJSA-N 2 2 326.360 2.194 20 5 EEBDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000124658517 463449000 /nfs/dbraw/zinc/44/90/00/463449000.db2.gz SXAYRKVAMSNLKB-UHFFFAOYSA-N 2 2 329.404 2.312 20 5 EEBDLP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000151315509 463511694 /nfs/dbraw/zinc/51/16/94/463511694.db2.gz SIASLMNTAAKORI-UHFFFAOYSA-N 2 2 328.372 2.321 20 5 EEBDLP [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000285990033 464766145 /nfs/dbraw/zinc/76/61/45/464766145.db2.gz IDRAOOLUACAYKF-AWEZNQCLSA-N 2 2 343.387 2.124 20 5 EEBDLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451869757 467277435 /nfs/dbraw/zinc/27/74/35/467277435.db2.gz SLTTYKSJYVCPFH-CYBMUJFWSA-N 2 2 345.403 2.239 20 5 EEBDLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451869757 467277441 /nfs/dbraw/zinc/27/74/41/467277441.db2.gz SLTTYKSJYVCPFH-CYBMUJFWSA-N 2 2 345.403 2.239 20 5 EEBDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420357956 467376006 /nfs/dbraw/zinc/37/60/06/467376006.db2.gz DYUKXELXBRZJKL-IQMDTDKHSA-N 2 2 340.811 2.163 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420359866 467376901 /nfs/dbraw/zinc/37/69/01/467376901.db2.gz KYQRUDSMOIIMCG-MRXNPFEDSA-N 2 2 334.420 2.339 20 5 EEBDLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414983119 467459580 /nfs/dbraw/zinc/45/95/80/467459580.db2.gz ZXJCIZGTTUWPQK-CYBMUJFWSA-N 2 2 346.456 2.317 20 5 EEBDLP C[NH+]1CCC(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000517677374 468092952 /nfs/dbraw/zinc/09/29/52/468092952.db2.gz AALGSMDMBQJFIZ-UHFFFAOYSA-N 2 2 348.447 2.181 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c2c1 ZINC000601113504 468745274 /nfs/dbraw/zinc/74/52/74/468745274.db2.gz HKFXVKFAAOZCQQ-QZTJIDSGSA-N 2 2 342.399 2.178 20 5 EEBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595102740 468758846 /nfs/dbraw/zinc/75/88/46/468758846.db2.gz LNYXJLKEYHSHMY-RHSMWYFYSA-N 2 2 331.416 2.425 20 5 EEBDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602704622 469021513 /nfs/dbraw/zinc/02/15/13/469021513.db2.gz BKOTWSYVHUAWCN-OAHLLOKOSA-N 2 2 347.463 2.421 20 5 EEBDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602704622 469021521 /nfs/dbraw/zinc/02/15/21/469021521.db2.gz BKOTWSYVHUAWCN-OAHLLOKOSA-N 2 2 347.463 2.421 20 5 EEBDLP CC(C)[C@@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[NH+](C)C ZINC000813171000 1201140836 /nfs/dbraw/zinc/14/08/36/1201140836.db2.gz BJHSFQUZRDLVNO-IRXDYDNUSA-N 2 2 349.431 2.299 20 5 EEBDLP CC(C)[C@@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[NH+](C)C ZINC000813171000 1201140839 /nfs/dbraw/zinc/14/08/39/1201140839.db2.gz BJHSFQUZRDLVNO-IRXDYDNUSA-N 2 2 349.431 2.299 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1F ZINC001246089374 1310233242 /nfs/dbraw/zinc/23/32/42/1310233242.db2.gz DLBJAPYMTGDUFI-VXGBXAGGSA-N 2 2 325.384 2.405 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2[nH+]ccn2C)c1F ZINC001173185999 797280058 /nfs/dbraw/zinc/28/00/58/797280058.db2.gz QSVIHDKZHMJZDR-LLVKDONJSA-N 2 2 336.367 2.239 20 5 EEBDLP COc1cc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)cc[nH+]1 ZINC001169054992 803597070 /nfs/dbraw/zinc/59/70/70/803597070.db2.gz OXRYBAXEQOQZAS-DZGCQCFKSA-N 2 2 334.420 2.094 20 5 EEBDLP C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442774265 242111412 /nfs/dbraw/zinc/11/14/12/242111412.db2.gz DTCIYTVZCDTUEQ-NNQSOWQGSA-N 2 2 343.387 2.360 20 5 EEBDLP C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442774265 242111415 /nfs/dbraw/zinc/11/14/15/242111415.db2.gz DTCIYTVZCDTUEQ-NNQSOWQGSA-N 2 2 343.387 2.360 20 5 EEBDLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000249068423 160373075 /nfs/dbraw/zinc/37/30/75/160373075.db2.gz ZUXWNENINLTYIE-DOTOQJQBSA-N 2 2 335.448 2.210 20 5 EEBDLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000249068423 160373076 /nfs/dbraw/zinc/37/30/76/160373076.db2.gz ZUXWNENINLTYIE-DOTOQJQBSA-N 2 2 335.448 2.210 20 5 EEBDLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360256015 164269392 /nfs/dbraw/zinc/26/93/92/164269392.db2.gz XERHTMUGOLZSEZ-UONOGXRCSA-N 2 2 335.404 2.328 20 5 EEBDLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000360256015 164269394 /nfs/dbraw/zinc/26/93/94/164269394.db2.gz XERHTMUGOLZSEZ-UONOGXRCSA-N 2 2 335.404 2.328 20 5 EEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000364850303 165294732 /nfs/dbraw/zinc/29/47/32/165294732.db2.gz KVMUUJHALBXBDM-LLVKDONJSA-N 2 2 340.374 2.453 20 5 EEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000364850303 165294735 /nfs/dbraw/zinc/29/47/35/165294735.db2.gz KVMUUJHALBXBDM-LLVKDONJSA-N 2 2 340.374 2.453 20 5 EEBDLP COc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277280697 269146983 /nfs/dbraw/zinc/14/69/83/269146983.db2.gz SFTQFHIWOMKLHE-CQSZACIVSA-N 2 2 337.420 2.398 20 5 EEBDLP COc1ccc(OCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277280697 269146984 /nfs/dbraw/zinc/14/69/84/269146984.db2.gz SFTQFHIWOMKLHE-CQSZACIVSA-N 2 2 337.420 2.398 20 5 EEBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588740 274342865 /nfs/dbraw/zinc/34/28/65/274342865.db2.gz VHNSYPPRKAZYJN-OJLVUWQFSA-N 2 2 333.436 2.347 20 5 EEBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588740 274342867 /nfs/dbraw/zinc/34/28/67/274342867.db2.gz VHNSYPPRKAZYJN-OJLVUWQFSA-N 2 2 333.436 2.347 20 5 EEBDLP COc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414895828 313109371 /nfs/dbraw/zinc/10/93/71/313109371.db2.gz ZXJAPHPGXQOLJE-NSHDSACASA-N 2 2 345.346 2.074 20 5 EEBDLP Cc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083849 463317780 /nfs/dbraw/zinc/31/77/80/463317780.db2.gz WYWXLKCEEVFBMP-AWEZNQCLSA-N 2 2 343.431 2.499 20 5 EEBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330871749 465839173 /nfs/dbraw/zinc/83/91/73/465839173.db2.gz RFTNUXQUXAFJAV-WMLDXEAASA-N 2 2 348.447 2.362 20 5 EEBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330871749 465839178 /nfs/dbraw/zinc/83/91/78/465839178.db2.gz RFTNUXQUXAFJAV-WMLDXEAASA-N 2 2 348.447 2.362 20 5 EEBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330871749 465839184 /nfs/dbraw/zinc/83/91/84/465839184.db2.gz RFTNUXQUXAFJAV-WMLDXEAASA-N 2 2 348.447 2.362 20 5 EEBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330871749 465839189 /nfs/dbraw/zinc/83/91/89/465839189.db2.gz RFTNUXQUXAFJAV-WMLDXEAASA-N 2 2 348.447 2.362 20 5 EEBDLP C[C@@H](Cn1cc[nH+]c1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000357308825 465932548 /nfs/dbraw/zinc/93/25/48/465932548.db2.gz XCKAWYNPWIDLJI-AWEZNQCLSA-N 2 2 345.403 2.124 20 5 EEBDLP Cn1cc[nH+]c1[C@H](N[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591578251 468486231 /nfs/dbraw/zinc/48/62/31/468486231.db2.gz GSURHVCANYFNRT-GOEBONIOSA-N 2 2 329.404 2.149 20 5 EEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423416446 466744077 /nfs/dbraw/zinc/74/40/77/466744077.db2.gz QNELANWWUSJKKL-SUMWQHHRSA-N 2 2 337.420 2.413 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[C@@H]1CCC[NH2+]C1 ZINC000420197931 467319901 /nfs/dbraw/zinc/31/99/01/467319901.db2.gz LVTQHVBTGZUJRB-HNNXBMFYSA-N 2 2 348.447 2.229 20 5 EEBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCO3)s2)cc1 ZINC000415093349 467488179 /nfs/dbraw/zinc/48/81/79/467488179.db2.gz HXSGKERSAOCASB-CQSZACIVSA-N 2 2 333.413 2.401 20 5 EEBDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595010509 468742791 /nfs/dbraw/zinc/74/27/91/468742791.db2.gz XCUCENRWCDSEBC-ZDUSSCGKSA-N 2 2 337.420 2.365 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596091487 469151220 /nfs/dbraw/zinc/15/12/20/469151220.db2.gz KXQIWBIWLQXNFY-HNNXBMFYSA-N 2 2 346.431 2.076 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000596091487 469151225 /nfs/dbraw/zinc/15/12/25/469151225.db2.gz KXQIWBIWLQXNFY-HNNXBMFYSA-N 2 2 346.431 2.076 20 5 EEBDLP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000609599085 469946320 /nfs/dbraw/zinc/94/63/20/469946320.db2.gz KPXHYYFUYKKUDE-INIZCTEOSA-N 2 2 349.431 2.336 20 5 EEBDLP CCC1([NH3+])CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC001577227936 1344110848 /nfs/dbraw/zinc/11/08/48/1344110848.db2.gz PRLYRAPWNSOKSH-UHFFFAOYSA-N 2 2 343.387 2.124 20 5 EEBDLP C[C@H]1[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000447803873 242318516 /nfs/dbraw/zinc/31/85/16/242318516.db2.gz CGYJVQSENZEGOF-GOEBONIOSA-N 2 2 348.447 2.322 20 5 EEBDLP C[C@H]1[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000447803873 242318521 /nfs/dbraw/zinc/31/85/21/242318521.db2.gz CGYJVQSENZEGOF-GOEBONIOSA-N 2 2 348.447 2.322 20 5 EEBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000273060148 256261932 /nfs/dbraw/zinc/26/19/32/256261932.db2.gz ZZSODPFUAYDPGB-UHFFFAOYSA-N 2 2 335.795 2.304 20 5 EEBDLP C[C@H](CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000272554451 274175222 /nfs/dbraw/zinc/17/52/22/274175222.db2.gz RYANZAOGAUAXQF-CXAGYDPISA-N 2 2 343.431 2.490 20 5 EEBDLP C[C@H](CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000272554451 274175223 /nfs/dbraw/zinc/17/52/23/274175223.db2.gz RYANZAOGAUAXQF-CXAGYDPISA-N 2 2 343.431 2.490 20 5 EEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000076897616 279966194 /nfs/dbraw/zinc/96/61/94/279966194.db2.gz RNGNEKOUGQOLBC-CQSZACIVSA-N 2 2 337.420 2.194 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423348739 294427994 /nfs/dbraw/zinc/42/79/94/294427994.db2.gz UPAILUASNYGAGL-SJLPKXTDSA-N 2 2 343.431 2.397 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000577408453 320254009 /nfs/dbraw/zinc/25/40/09/320254009.db2.gz XXBRECYZYMMVDL-NSHDSACASA-N 2 2 327.344 2.459 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000577408453 320254011 /nfs/dbraw/zinc/25/40/11/320254011.db2.gz XXBRECYZYMMVDL-NSHDSACASA-N 2 2 327.344 2.459 20 5 EEBDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000173617417 464294113 /nfs/dbraw/zinc/29/41/13/464294113.db2.gz AXMVAHJILGQMEC-ZDUSSCGKSA-N 2 2 334.420 2.384 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281453582 464459659 /nfs/dbraw/zinc/45/96/59/464459659.db2.gz UTXAIKFXVVIVRE-CQSZACIVSA-N 2 2 334.420 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281453582 464459661 /nfs/dbraw/zinc/45/96/61/464459661.db2.gz UTXAIKFXVVIVRE-CQSZACIVSA-N 2 2 334.420 2.340 20 5 EEBDLP CC[N@H+](CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272585594 464669687 /nfs/dbraw/zinc/66/96/87/464669687.db2.gz YXODWYZYGDDDNC-QGZVFWFLSA-N 2 2 343.431 2.492 20 5 EEBDLP CC[N@@H+](CCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272585594 464669693 /nfs/dbraw/zinc/66/96/93/464669693.db2.gz YXODWYZYGDDDNC-QGZVFWFLSA-N 2 2 343.431 2.492 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000373779306 466918232 /nfs/dbraw/zinc/91/82/32/466918232.db2.gz XSTNLMUTBARGHI-YXJHDRRASA-N 2 2 349.431 2.287 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000373779306 466918235 /nfs/dbraw/zinc/91/82/35/466918235.db2.gz XSTNLMUTBARGHI-YXJHDRRASA-N 2 2 349.431 2.287 20 5 EEBDLP CCc1cc(NC[C@H](C)C[NH2+]C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420196383 467319343 /nfs/dbraw/zinc/31/93/43/467319343.db2.gz KXYMORISVRZWAT-GFCCVEGCSA-N 2 2 329.404 2.304 20 5 EEBDLP Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420258781 467331722 /nfs/dbraw/zinc/33/17/22/467331722.db2.gz LOQBGFMKLHKSBL-LSDHHAIUSA-N 2 2 339.399 2.406 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420336366 467364503 /nfs/dbraw/zinc/36/45/03/467364503.db2.gz MDIGEKOMAMKTMW-WFASDCNBSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420336366 467364504 /nfs/dbraw/zinc/36/45/04/467364504.db2.gz MDIGEKOMAMKTMW-WFASDCNBSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1ccc(CCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c[nH+]1 ZINC000582215693 468506342 /nfs/dbraw/zinc/50/63/42/468506342.db2.gz ARIQYKVPDICYOZ-UHFFFAOYSA-N 2 2 341.415 2.448 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)OCCO2 ZINC000611261827 469213319 /nfs/dbraw/zinc/21/33/19/469213319.db2.gz HLIMKYHXVNOFHJ-GFCCVEGCSA-N 2 2 344.371 2.469 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)OCCO2 ZINC000611261827 469213328 /nfs/dbraw/zinc/21/33/28/469213328.db2.gz HLIMKYHXVNOFHJ-GFCCVEGCSA-N 2 2 344.371 2.469 20 5 EEBDLP O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2c(c1)COCO2 ZINC000609257976 469908076 /nfs/dbraw/zinc/90/80/76/469908076.db2.gz HOGMWVRYGSNOTG-OAHLLOKOSA-N 2 2 344.371 2.495 20 5 EEBDLP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2c(c1)COCO2 ZINC000609257976 469908079 /nfs/dbraw/zinc/90/80/79/469908079.db2.gz HOGMWVRYGSNOTG-OAHLLOKOSA-N 2 2 344.371 2.495 20 5 EEBDLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877153340 1199871181 /nfs/dbraw/zinc/87/11/81/1199871181.db2.gz HJKNJXDKPOBEEP-AWEZNQCLSA-N 2 2 333.436 2.033 20 5 EEBDLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877153340 1199871183 /nfs/dbraw/zinc/87/11/83/1199871183.db2.gz HJKNJXDKPOBEEP-AWEZNQCLSA-N 2 2 333.436 2.033 20 5 EEBDLP C[NH+]1CC(NC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C1 ZINC001220013317 1298219817 /nfs/dbraw/zinc/21/98/17/1298219817.db2.gz QTMKSYLYBBYMDM-FQEVSTJZSA-N 2 2 333.435 2.293 20 5 EEBDLP [NH3+]C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC12CCOCC2 ZINC000843125417 1315849010 /nfs/dbraw/zinc/84/90/10/1315849010.db2.gz VYRZHANUVKJAQY-ZDUSSCGKSA-N 2 2 339.823 2.436 20 5 EEBDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC12CCOCC2 ZINC000843125417 1315849015 /nfs/dbraw/zinc/84/90/15/1315849015.db2.gz VYRZHANUVKJAQY-ZDUSSCGKSA-N 2 2 339.823 2.436 20 5 EEBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000164636338 789244423 /nfs/dbraw/zinc/24/44/23/789244423.db2.gz PNYKMYZMUMGSDG-BBRMVZONSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000164636338 789244430 /nfs/dbraw/zinc/24/44/30/789244430.db2.gz PNYKMYZMUMGSDG-BBRMVZONSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000164636338 789244432 /nfs/dbraw/zinc/24/44/32/789244432.db2.gz PNYKMYZMUMGSDG-BBRMVZONSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000164636338 789244439 /nfs/dbraw/zinc/24/44/39/789244439.db2.gz PNYKMYZMUMGSDG-BBRMVZONSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+](C)CC(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049946159 214036870 /nfs/dbraw/zinc/03/68/70/214036870.db2.gz YGOXRRRBLVAPFD-UHFFFAOYSA-N 2 2 345.403 2.098 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247300367 160319369 /nfs/dbraw/zinc/31/93/69/160319369.db2.gz UQNZSOBPFIXRIX-WMLDXEAASA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247300367 160319370 /nfs/dbraw/zinc/31/93/70/160319370.db2.gz UQNZSOBPFIXRIX-WMLDXEAASA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247300367 160319372 /nfs/dbraw/zinc/31/93/72/160319372.db2.gz UQNZSOBPFIXRIX-WMLDXEAASA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247300367 160319374 /nfs/dbraw/zinc/31/93/74/160319374.db2.gz UQNZSOBPFIXRIX-WMLDXEAASA-N 2 2 346.431 2.258 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293109102 293127988 /nfs/dbraw/zinc/12/79/88/293127988.db2.gz YILBICJHNRKTBD-KDOFPFPSSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293109102 293127989 /nfs/dbraw/zinc/12/79/89/293127989.db2.gz YILBICJHNRKTBD-KDOFPFPSSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293109102 293127992 /nfs/dbraw/zinc/12/79/92/293127992.db2.gz YILBICJHNRKTBD-KDOFPFPSSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293109102 293127993 /nfs/dbraw/zinc/12/79/93/293127993.db2.gz YILBICJHNRKTBD-KDOFPFPSSA-N 2 2 346.431 2.340 20 5 EEBDLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414979014 313119221 /nfs/dbraw/zinc/11/92/21/313119221.db2.gz TTXAYRTWVXLSDA-HNNXBMFYSA-N 2 2 346.456 2.317 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795646 463649807 /nfs/dbraw/zinc/64/98/07/463649807.db2.gz WHBIPEKIUSYVAI-ZDUSSCGKSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@@H]1CCC[N@H+](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000554527279 468415057 /nfs/dbraw/zinc/41/50/57/468415057.db2.gz ZRWFPZGSLRFBSY-CQSZACIVSA-N 2 2 334.420 2.245 20 5 EEBDLP C[C@@H]1CCC[N@@H+](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000554527279 468415063 /nfs/dbraw/zinc/41/50/63/468415063.db2.gz ZRWFPZGSLRFBSY-CQSZACIVSA-N 2 2 334.420 2.245 20 5 EEBDLP CCOc1cc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000340700683 466275937 /nfs/dbraw/zinc/27/59/37/466275937.db2.gz QAEWEMMTTVYDKW-GOSISDBHSA-N 2 2 348.447 2.115 20 5 EEBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000367472742 466363691 /nfs/dbraw/zinc/36/36/91/466363691.db2.gz UREYHTSPRSQEDE-WEBJUUICSA-N 2 2 344.459 2.320 20 5 EEBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000367472742 466363695 /nfs/dbraw/zinc/36/36/95/466363695.db2.gz UREYHTSPRSQEDE-WEBJUUICSA-N 2 2 344.459 2.320 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000363394359 466375134 /nfs/dbraw/zinc/37/51/34/466375134.db2.gz AIIMAIPTANOCKA-ZDUSSCGKSA-N 2 2 343.387 2.455 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000367697230 466499182 /nfs/dbraw/zinc/49/91/82/466499182.db2.gz CBELLQBEXQHYDO-LBPRGKRZSA-N 2 2 331.332 2.226 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000367697230 466499185 /nfs/dbraw/zinc/49/91/85/466499185.db2.gz CBELLQBEXQHYDO-LBPRGKRZSA-N 2 2 331.332 2.226 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000423205240 466696597 /nfs/dbraw/zinc/69/65/97/466696597.db2.gz DZNFVZOGRLLSDW-CZUORRHYSA-N 2 2 329.404 2.007 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CCC2 ZINC000453250398 467469421 /nfs/dbraw/zinc/46/94/21/467469421.db2.gz ACUUZJPPOAULIE-AEFFLSMTSA-N 2 2 333.432 2.409 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000453250398 467469422 /nfs/dbraw/zinc/46/94/22/467469422.db2.gz ACUUZJPPOAULIE-AEFFLSMTSA-N 2 2 333.432 2.409 20 5 EEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449399234 467639329 /nfs/dbraw/zinc/63/93/29/467639329.db2.gz YVFMATRACFNBMY-WBVHZDCISA-N 2 2 335.448 2.352 20 5 EEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449399234 467639333 /nfs/dbraw/zinc/63/93/33/467639333.db2.gz YVFMATRACFNBMY-WBVHZDCISA-N 2 2 335.448 2.352 20 5 EEBDLP CC[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000592488726 468709813 /nfs/dbraw/zinc/70/98/13/468709813.db2.gz MMBWGFKQVOGBCS-SMDDNHRTSA-N 2 2 331.376 2.204 20 5 EEBDLP CC[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1[NH3+] ZINC000592488726 468709817 /nfs/dbraw/zinc/70/98/17/468709817.db2.gz MMBWGFKQVOGBCS-SMDDNHRTSA-N 2 2 331.376 2.204 20 5 EEBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)nc2c1 ZINC000602716794 469029857 /nfs/dbraw/zinc/02/98/57/469029857.db2.gz DLQLMODTLSAXGD-CQSZACIVSA-N 2 2 346.387 2.079 20 5 EEBDLP Cc1cc(N[C@H]2CCC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601985814 469129570 /nfs/dbraw/zinc/12/95/70/469129570.db2.gz YWEWAMJKWSXZIE-AWEZNQCLSA-N 2 2 327.388 2.336 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596091488 469150472 /nfs/dbraw/zinc/15/04/72/469150472.db2.gz KXQIWBIWLQXNFY-OAHLLOKOSA-N 2 2 346.431 2.076 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596091488 469150481 /nfs/dbraw/zinc/15/04/81/469150481.db2.gz KXQIWBIWLQXNFY-OAHLLOKOSA-N 2 2 346.431 2.076 20 5 EEBDLP CC[NH+]1CCC([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253691 469210569 /nfs/dbraw/zinc/21/05/69/469210569.db2.gz DYGORVAOXMFWGX-UHFFFAOYSA-N 2 2 335.404 2.282 20 5 EEBDLP CC[NH+]1CCC([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253691 469210573 /nfs/dbraw/zinc/21/05/73/469210573.db2.gz DYGORVAOXMFWGX-UHFFFAOYSA-N 2 2 335.404 2.282 20 5 EEBDLP Cc1cc(N2CC(C[NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596246522 469219263 /nfs/dbraw/zinc/21/92/63/469219263.db2.gz GONHTTPQJGHMSE-UHFFFAOYSA-N 2 2 327.388 2.358 20 5 EEBDLP CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611374163 469237163 /nfs/dbraw/zinc/23/71/63/469237163.db2.gz MYTSTIVMEUVRSF-HNNXBMFYSA-N 2 2 338.477 2.257 20 5 EEBDLP CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611374163 469237166 /nfs/dbraw/zinc/23/71/66/469237166.db2.gz MYTSTIVMEUVRSF-HNNXBMFYSA-N 2 2 338.477 2.257 20 5 EEBDLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602514324 469345464 /nfs/dbraw/zinc/34/54/64/469345464.db2.gz JICFFOQFWWONFC-HNNXBMFYSA-N 2 2 347.463 2.280 20 5 EEBDLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602514324 469345469 /nfs/dbraw/zinc/34/54/69/469345469.db2.gz JICFFOQFWWONFC-HNNXBMFYSA-N 2 2 347.463 2.280 20 5 EEBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749958489 577984759 /nfs/dbraw/zinc/98/47/59/577984759.db2.gz DPQYSCDLCXPETO-CQSZACIVSA-N 2 2 346.435 2.269 20 5 EEBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749958489 577984760 /nfs/dbraw/zinc/98/47/60/577984760.db2.gz DPQYSCDLCXPETO-CQSZACIVSA-N 2 2 346.435 2.269 20 5 EEBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749958489 577984761 /nfs/dbraw/zinc/98/47/61/577984761.db2.gz DPQYSCDLCXPETO-CQSZACIVSA-N 2 2 346.435 2.269 20 5 EEBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749958489 577984762 /nfs/dbraw/zinc/98/47/62/577984762.db2.gz DPQYSCDLCXPETO-CQSZACIVSA-N 2 2 346.435 2.269 20 5 EEBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001255573504 1318466601 /nfs/dbraw/zinc/46/66/01/1318466601.db2.gz JFRTYDSVLBFUGY-UHFFFAOYSA-N 2 2 338.327 2.318 20 5 EEBDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001169074306 803604360 /nfs/dbraw/zinc/60/43/60/803604360.db2.gz JIWQSSKPXFJRHA-OAHLLOKOSA-N 2 2 338.367 2.310 20 5 EEBDLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000276917584 274273041 /nfs/dbraw/zinc/27/30/41/274273041.db2.gz ONOHTYQSPBUTLG-MRXNPFEDSA-N 2 2 349.431 2.148 20 5 EEBDLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000276917584 274273043 /nfs/dbraw/zinc/27/30/43/274273043.db2.gz ONOHTYQSPBUTLG-MRXNPFEDSA-N 2 2 349.431 2.148 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795650 463649519 /nfs/dbraw/zinc/64/95/19/463649519.db2.gz WHBIPEKIUSYVAI-CYBMUJFWSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449399232 467639999 /nfs/dbraw/zinc/63/99/99/467639999.db2.gz YVFMATRACFNBMY-NVXWUHKLSA-N 2 2 335.448 2.352 20 5 EEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449399232 467640001 /nfs/dbraw/zinc/64/00/01/467640001.db2.gz YVFMATRACFNBMY-NVXWUHKLSA-N 2 2 335.448 2.352 20 5 EEBDLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000517651988 468092310 /nfs/dbraw/zinc/09/23/10/468092310.db2.gz YJMMRVHPDNIIJZ-UHFFFAOYSA-N 2 2 347.400 2.055 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000601123366 468750731 /nfs/dbraw/zinc/75/07/31/468750731.db2.gz AVINYRYDACVTHD-UHFFFAOYSA-N 2 2 342.399 2.444 20 5 EEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611244104 469207812 /nfs/dbraw/zinc/20/78/12/469207812.db2.gz AXGLRTQEFNGFKB-CXAGYDPISA-N 2 2 346.431 2.070 20 5 EEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611244104 469207818 /nfs/dbraw/zinc/20/78/18/469207818.db2.gz AXGLRTQEFNGFKB-CXAGYDPISA-N 2 2 346.431 2.070 20 5 EEBDLP CC[NH+](CC)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447802355 535542111 /nfs/dbraw/zinc/54/21/11/535542111.db2.gz JYJOKYKAVJHJAJ-UHFFFAOYSA-N 2 2 336.436 2.181 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1F ZINC001246119963 1310240501 /nfs/dbraw/zinc/24/05/01/1310240501.db2.gz YGBSJBIAOXAUGK-NQBHXWOUSA-N 2 2 325.384 2.261 20 5 EEBDLP O=C(OCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102655 1315138441 /nfs/dbraw/zinc/13/84/41/1315138441.db2.gz WBTSTDDWUXVJMU-UHFFFAOYSA-N 2 2 344.371 2.423 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374430250 282210570 /nfs/dbraw/zinc/21/05/70/282210570.db2.gz RWKMPJBFQNOYDC-DJIMGWMZSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374430250 282210573 /nfs/dbraw/zinc/21/05/73/282210573.db2.gz RWKMPJBFQNOYDC-DJIMGWMZSA-N 2 2 337.395 2.417 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000346327859 161363579 /nfs/dbraw/zinc/36/35/79/161363579.db2.gz IRNOIJYWMPOLFB-XJKCOSOUSA-N 2 2 334.420 2.384 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346327859 161363580 /nfs/dbraw/zinc/36/35/80/161363580.db2.gz IRNOIJYWMPOLFB-XJKCOSOUSA-N 2 2 334.420 2.384 20 5 EEBDLP CN(CCC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000289479175 275119773 /nfs/dbraw/zinc/11/97/73/275119773.db2.gz RNSGCTVPQFCBDY-UHFFFAOYSA-N 2 2 344.406 2.188 20 5 EEBDLP CN(CCC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000289479175 275119774 /nfs/dbraw/zinc/11/97/74/275119774.db2.gz RNSGCTVPQFCBDY-UHFFFAOYSA-N 2 2 344.406 2.188 20 5 EEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000363242686 277028293 /nfs/dbraw/zinc/02/82/93/277028293.db2.gz MTYSUGUSPUTTKY-LLVKDONJSA-N 2 2 339.827 2.224 20 5 EEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000363242686 277028294 /nfs/dbraw/zinc/02/82/94/277028294.db2.gz MTYSUGUSPUTTKY-LLVKDONJSA-N 2 2 339.827 2.224 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000441255360 315177129 /nfs/dbraw/zinc/17/71/29/315177129.db2.gz KQRJWERUICDCIM-OAUYIBNBSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000441255360 315177131 /nfs/dbraw/zinc/17/71/31/315177131.db2.gz KQRJWERUICDCIM-OAUYIBNBSA-N 2 2 337.395 2.417 20 5 EEBDLP COc1cc(C[N@H+](C)CCC[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000568393546 468330424 /nfs/dbraw/zinc/33/04/24/468330424.db2.gz GJVFVZLHVPRPCM-UHFFFAOYSA-N 2 2 333.335 2.028 20 5 EEBDLP COc1cc(C[N@@H+](C)CCC[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000568393546 468330427 /nfs/dbraw/zinc/33/04/27/468330427.db2.gz GJVFVZLHVPRPCM-UHFFFAOYSA-N 2 2 333.335 2.028 20 5 EEBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000136303499 463234306 /nfs/dbraw/zinc/23/43/06/463234306.db2.gz GKPHEVCKVSYLHA-UHFFFAOYSA-N 2 2 346.387 2.488 20 5 EEBDLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237563714 464339749 /nfs/dbraw/zinc/33/97/49/464339749.db2.gz XINCVLWFSGHONH-GXTWGEPZSA-N 2 2 343.387 2.122 20 5 EEBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423224043 466699507 /nfs/dbraw/zinc/69/95/07/466699507.db2.gz BJWNOPAFRBRQJR-CQSZACIVSA-N 2 2 341.415 2.443 20 5 EEBDLP Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420271307 467333787 /nfs/dbraw/zinc/33/37/87/467333787.db2.gz HLPSRBOBRNJMCX-OCCSQVGLSA-N 2 2 327.388 2.321 20 5 EEBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCO3)s2)cc1 ZINC000415093348 467488435 /nfs/dbraw/zinc/48/84/35/467488435.db2.gz HXSGKERSAOCASB-AWEZNQCLSA-N 2 2 333.413 2.401 20 5 EEBDLP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601104718 468742980 /nfs/dbraw/zinc/74/29/80/468742980.db2.gz DRLYFICHWQHNBG-CQSZACIVSA-N 2 2 343.431 2.003 20 5 EEBDLP COc1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000595506191 468880636 /nfs/dbraw/zinc/88/06/36/468880636.db2.gz BDSMGMVZDQENAW-GOSISDBHSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000595506191 468880640 /nfs/dbraw/zinc/88/06/40/468880640.db2.gz BDSMGMVZDQENAW-GOSISDBHSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000595506191 468880643 /nfs/dbraw/zinc/88/06/43/468880643.db2.gz BDSMGMVZDQENAW-GOSISDBHSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000595506191 468880647 /nfs/dbraw/zinc/88/06/47/468880647.db2.gz BDSMGMVZDQENAW-GOSISDBHSA-N 2 2 349.431 2.400 20 5 EEBDLP Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000593730860 469113187 /nfs/dbraw/zinc/11/31/87/469113187.db2.gz JFANTWQTAGHBDA-GLJUWKHASA-N 2 2 346.431 2.291 20 5 EEBDLP Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000593730860 469113193 /nfs/dbraw/zinc/11/31/93/469113193.db2.gz JFANTWQTAGHBDA-GLJUWKHASA-N 2 2 346.431 2.291 20 5 EEBDLP C[C@H]1CC[N@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766382613 577518290 /nfs/dbraw/zinc/51/82/90/577518290.db2.gz MTKSLZWTXHAZLV-HNNXBMFYSA-N 2 2 332.448 2.495 20 5 EEBDLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766382613 577518291 /nfs/dbraw/zinc/51/82/91/577518291.db2.gz MTKSLZWTXHAZLV-HNNXBMFYSA-N 2 2 332.448 2.495 20 5 EEBDLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000818340444 785245940 /nfs/dbraw/zinc/24/59/40/785245940.db2.gz MNWGOFXGCALGIW-ZWKOPEQDSA-N 2 2 340.811 2.435 20 5 EEBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)CC1 ZINC000093132864 218195749 /nfs/dbraw/zinc/19/57/49/218195749.db2.gz XJBLNDGWTUDKJL-QGZVFWFLSA-N 2 2 332.448 2.115 20 5 EEBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)CC1 ZINC000093132864 218195752 /nfs/dbraw/zinc/19/57/52/218195752.db2.gz XJBLNDGWTUDKJL-QGZVFWFLSA-N 2 2 332.448 2.115 20 5 EEBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000119512486 221337150 /nfs/dbraw/zinc/33/71/50/221337150.db2.gz WXZILQUABQACSB-FNORWQNLSA-N 2 2 344.459 2.321 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422636668 281261138 /nfs/dbraw/zinc/26/11/38/281261138.db2.gz NJSYPBYNYQYXJA-MCIONIFRSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422636668 281261140 /nfs/dbraw/zinc/26/11/40/281261140.db2.gz NJSYPBYNYQYXJA-MCIONIFRSA-N 2 2 334.420 2.147 20 5 EEBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C[NH3+] ZINC000422638727 314297915 /nfs/dbraw/zinc/29/79/15/314297915.db2.gz RGKCMADODZUYBY-DYEKYZERSA-N 2 2 345.403 2.450 20 5 EEBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C[NH3+] ZINC000422638727 314297916 /nfs/dbraw/zinc/29/79/16/314297916.db2.gz RGKCMADODZUYBY-DYEKYZERSA-N 2 2 345.403 2.450 20 5 EEBDLP CCOc1cc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000339426959 465263645 /nfs/dbraw/zinc/26/36/45/465263645.db2.gz DJTWDYBVSSPSPH-OAHLLOKOSA-N 2 2 348.447 2.115 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000075777474 462758002 /nfs/dbraw/zinc/75/80/02/462758002.db2.gz VTKPOTWVUVBUKR-LJQANCHMSA-N 2 2 341.411 2.104 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000075777474 462758005 /nfs/dbraw/zinc/75/80/05/462758005.db2.gz VTKPOTWVUVBUKR-LJQANCHMSA-N 2 2 341.411 2.104 20 5 EEBDLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435370250 467462693 /nfs/dbraw/zinc/46/26/93/467462693.db2.gz IFGJZFDBSDIFFP-UWVGGRQHSA-N 2 2 345.346 2.374 20 5 EEBDLP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000435370250 467462694 /nfs/dbraw/zinc/46/26/94/467462694.db2.gz IFGJZFDBSDIFFP-UWVGGRQHSA-N 2 2 345.346 2.374 20 5 EEBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000415102674 467490272 /nfs/dbraw/zinc/49/02/72/467490272.db2.gz BISPXDCPOOUMCE-INIZCTEOSA-N 2 2 331.372 2.404 20 5 EEBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000415102674 467490275 /nfs/dbraw/zinc/49/02/75/467490275.db2.gz BISPXDCPOOUMCE-INIZCTEOSA-N 2 2 331.372 2.404 20 5 EEBDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595097185 468758363 /nfs/dbraw/zinc/75/83/63/468758363.db2.gz RUCFNYYDKIESBW-DZGCQCFKSA-N 2 2 334.420 2.386 20 5 EEBDLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000595097185 468758368 /nfs/dbraw/zinc/75/83/68/468758368.db2.gz RUCFNYYDKIESBW-DZGCQCFKSA-N 2 2 334.420 2.386 20 5 EEBDLP O=[N+]([O-])c1cc(-c2nc([C@H]3CCC[NH2+]C3)no2)ccc1-n1cc[nH+]c1 ZINC000842663045 1315749220 /nfs/dbraw/zinc/74/92/20/1315749220.db2.gz XBYKGPAOMIGMRS-LBPRGKRZSA-N 2 2 340.343 2.298 20 5 EEBDLP COc1cc(N2CCC([NH2+]C[C@H]3CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC001256085268 1318643352 /nfs/dbraw/zinc/64/33/52/1318643352.db2.gz MMZHRBPAXCCKIS-MRXNPFEDSA-N 2 2 348.447 2.256 20 5 EEBDLP COc1cc(N2CCC([NH2+]C[C@H]3CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC001256085268 1318643363 /nfs/dbraw/zinc/64/33/63/1318643363.db2.gz MMZHRBPAXCCKIS-MRXNPFEDSA-N 2 2 348.447 2.256 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000786813871 806910094 /nfs/dbraw/zinc/91/00/94/806910094.db2.gz NIXVOZQDYNPIPH-BUSCQBHZSA-N 2 2 331.416 2.451 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000786813871 806910099 /nfs/dbraw/zinc/91/00/99/806910099.db2.gz NIXVOZQDYNPIPH-BUSCQBHZSA-N 2 2 331.416 2.451 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000351864210 286220108 /nfs/dbraw/zinc/22/01/08/286220108.db2.gz WSIVUOJXFPBPSK-VHSXEESVSA-N 2 2 345.346 2.374 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000351864210 286220109 /nfs/dbraw/zinc/22/01/09/286220109.db2.gz WSIVUOJXFPBPSK-VHSXEESVSA-N 2 2 345.346 2.374 20 5 EEBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000075777487 159076878 /nfs/dbraw/zinc/07/68/78/159076878.db2.gz MVXHKCALXJYLKC-IBGZPJMESA-N 2 2 341.411 2.104 20 5 EEBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000075777487 159076881 /nfs/dbraw/zinc/07/68/81/159076881.db2.gz MVXHKCALXJYLKC-IBGZPJMESA-N 2 2 341.411 2.104 20 5 EEBDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C ZINC000123814382 222335622 /nfs/dbraw/zinc/33/56/22/222335622.db2.gz TWKOSXUQVNSSIM-WFASDCNBSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1C ZINC000123814382 222335625 /nfs/dbraw/zinc/33/56/25/222335625.db2.gz TWKOSXUQVNSSIM-WFASDCNBSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[NH+]1C ZINC000123814382 222335629 /nfs/dbraw/zinc/33/56/29/222335629.db2.gz TWKOSXUQVNSSIM-WFASDCNBSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[NH+]1C ZINC000123814382 222335632 /nfs/dbraw/zinc/33/56/32/222335632.db2.gz TWKOSXUQVNSSIM-WFASDCNBSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@@H](CCCC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000292176115 275388551 /nfs/dbraw/zinc/38/85/51/275388551.db2.gz WKEZXTMRXFYZBS-LBPRGKRZSA-N 2 2 331.376 2.028 20 5 EEBDLP Cc1c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000069571250 463278921 /nfs/dbraw/zinc/27/89/21/463278921.db2.gz PMAGDCWNZWYJLF-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP Cc1c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000069571250 463278928 /nfs/dbraw/zinc/27/89/28/463278928.db2.gz PMAGDCWNZWYJLF-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP Cc1cc[nH+]c(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000166221502 463653217 /nfs/dbraw/zinc/65/32/17/463653217.db2.gz HOGBYSVAPOIKST-UHFFFAOYSA-N 2 2 342.399 2.499 20 5 EEBDLP Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000269318658 463950820 /nfs/dbraw/zinc/95/08/20/463950820.db2.gz IDVINOBAWNXZFV-UHFFFAOYSA-N 2 2 347.463 2.293 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000344549757 465667117 /nfs/dbraw/zinc/66/71/17/465667117.db2.gz ORZGLHPLDPLLPK-LJQANCHMSA-N 2 2 341.411 2.321 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000344549757 465667120 /nfs/dbraw/zinc/66/71/20/465667120.db2.gz ORZGLHPLDPLLPK-LJQANCHMSA-N 2 2 341.411 2.321 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000591577834 468486290 /nfs/dbraw/zinc/48/62/90/468486290.db2.gz IPCJMPINUKIFPC-HOCLYGCPSA-N 2 2 329.404 2.149 20 5 EEBDLP C[NH+]1CCC([NH+]2CCC(Nc3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000413105207 467170416 /nfs/dbraw/zinc/17/04/16/467170416.db2.gz NDWUMYCZDZAGNS-UHFFFAOYSA-N 2 2 337.399 2.099 20 5 EEBDLP C[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C[NH3+] ZINC000420401777 467395795 /nfs/dbraw/zinc/39/57/95/467395795.db2.gz JKZQBJCDVBOCAS-AAEUAGOBSA-N 2 2 331.376 2.062 20 5 EEBDLP C[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C[NH3+] ZINC000420401777 467395799 /nfs/dbraw/zinc/39/57/99/467395799.db2.gz JKZQBJCDVBOCAS-AAEUAGOBSA-N 2 2 331.376 2.062 20 5 EEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430652566 467455749 /nfs/dbraw/zinc/45/57/49/467455749.db2.gz NKUZTQYNPHHCPA-JSGCOSHPSA-N 2 2 348.403 2.095 20 5 EEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430652566 467455751 /nfs/dbraw/zinc/45/57/51/467455751.db2.gz NKUZTQYNPHHCPA-JSGCOSHPSA-N 2 2 348.403 2.095 20 5 EEBDLP CC1=CC[N@H+](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000567710403 468192159 /nfs/dbraw/zinc/19/21/59/468192159.db2.gz KPTPGBIAJAMLRR-UHFFFAOYSA-N 2 2 332.404 2.165 20 5 EEBDLP CC1=CC[N@@H+](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000567710403 468192165 /nfs/dbraw/zinc/19/21/65/468192165.db2.gz KPTPGBIAJAMLRR-UHFFFAOYSA-N 2 2 332.404 2.165 20 5 EEBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595102737 468759400 /nfs/dbraw/zinc/75/94/00/468759400.db2.gz LNYXJLKEYHSHMY-PBHICJAKSA-N 2 2 331.416 2.425 20 5 EEBDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000571626842 468813677 /nfs/dbraw/zinc/81/36/77/468813677.db2.gz MFHRZIVAGGUIDZ-CLWVCHIJSA-N 2 2 333.436 2.490 20 5 EEBDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000571626842 468813680 /nfs/dbraw/zinc/81/36/80/468813680.db2.gz MFHRZIVAGGUIDZ-CLWVCHIJSA-N 2 2 333.436 2.490 20 5 EEBDLP C[N@H+](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000749695102 577980188 /nfs/dbraw/zinc/98/01/88/577980188.db2.gz ZYCGVDAIPSNOBR-SFHVURJKSA-N 2 2 329.400 2.350 20 5 EEBDLP C[N@@H+](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000749695102 577980189 /nfs/dbraw/zinc/98/01/89/577980189.db2.gz ZYCGVDAIPSNOBR-SFHVURJKSA-N 2 2 329.400 2.350 20 5 EEBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001173221969 797303157 /nfs/dbraw/zinc/30/31/57/797303157.db2.gz RNAAXHUDBXLSSR-ZBFHGGJFSA-N 2 2 333.432 2.369 20 5 EEBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001173221969 797303163 /nfs/dbraw/zinc/30/31/63/797303163.db2.gz RNAAXHUDBXLSSR-ZBFHGGJFSA-N 2 2 333.432 2.369 20 5 EEBDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266546134 248353997 /nfs/dbraw/zinc/35/39/97/248353997.db2.gz RMZXMHJCBITWRU-OAHLLOKOSA-N 2 2 348.447 2.142 20 5 EEBDLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000123183504 463323356 /nfs/dbraw/zinc/32/33/56/463323356.db2.gz WWIKFDOWYPXNQN-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000123183504 463323360 /nfs/dbraw/zinc/32/33/60/463323360.db2.gz WWIKFDOWYPXNQN-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244410 464728974 /nfs/dbraw/zinc/72/89/74/464728974.db2.gz HRZQRCFRBCAGCO-HZPDHXFCSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244410 464728981 /nfs/dbraw/zinc/72/89/81/464728981.db2.gz HRZQRCFRBCAGCO-HZPDHXFCSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244410 464728987 /nfs/dbraw/zinc/72/89/87/464728987.db2.gz HRZQRCFRBCAGCO-HZPDHXFCSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244410 464728993 /nfs/dbraw/zinc/72/89/93/464728993.db2.gz HRZQRCFRBCAGCO-HZPDHXFCSA-N 2 2 335.452 2.378 20 5 EEBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182964236 464767722 /nfs/dbraw/zinc/76/77/22/464767722.db2.gz XZLPZGLCEUZUEE-UHFFFAOYSA-N 2 2 340.855 2.318 20 5 EEBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182964236 464767737 /nfs/dbraw/zinc/76/77/37/464767737.db2.gz XZLPZGLCEUZUEE-UHFFFAOYSA-N 2 2 340.855 2.318 20 5 EEBDLP Cn1cc[nH+]c1N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000597253614 468497444 /nfs/dbraw/zinc/49/74/44/468497444.db2.gz FGRKAFFQKJNYAN-XQRVVYSFSA-N 2 2 327.388 2.164 20 5 EEBDLP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420294869 467341822 /nfs/dbraw/zinc/34/18/22/467341822.db2.gz OTXXGCJFUBVEFE-JTQLQIEISA-N 2 2 340.811 2.246 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420353198 467373768 /nfs/dbraw/zinc/37/37/68/467373768.db2.gz BJMNHFQEHYPHFV-AWEZNQCLSA-N 2 2 334.420 2.339 20 5 EEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430542441 467436225 /nfs/dbraw/zinc/43/62/25/467436225.db2.gz KFTVFIDRTLDVBZ-AWEZNQCLSA-N 2 2 333.392 2.450 20 5 EEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000430542441 467436227 /nfs/dbraw/zinc/43/62/27/467436227.db2.gz KFTVFIDRTLDVBZ-AWEZNQCLSA-N 2 2 333.392 2.450 20 5 EEBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC([NH2+]CCO)CC3)o2)c1 ZINC000602021641 469149389 /nfs/dbraw/zinc/14/93/89/469149389.db2.gz QUDGSPOHYCIOFC-UHFFFAOYSA-N 2 2 345.399 2.401 20 5 EEBDLP COCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892724098 682921058 /nfs/dbraw/zinc/92/10/58/682921058.db2.gz OZVWKLQLJZEMJZ-UHFFFAOYSA-N 2 2 327.812 2.449 20 5 EEBDLP C[C@]([NH3+])(C(=O)Nc1cccc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC001576086285 1403559972 /nfs/dbraw/zinc/55/99/72/1403559972.db2.gz QOFZJBAJRCXIGM-MRXNPFEDSA-N 2 2 325.328 2.055 20 5 EEBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000164780972 789295361 /nfs/dbraw/zinc/29/53/61/789295361.db2.gz XXQMIUGUUDDDHX-ZBFHGGJFSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000164780972 789295367 /nfs/dbraw/zinc/29/53/67/789295367.db2.gz XXQMIUGUUDDDHX-ZBFHGGJFSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000164780972 789295373 /nfs/dbraw/zinc/29/53/73/789295373.db2.gz XXQMIUGUUDDDHX-ZBFHGGJFSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000164780972 789295379 /nfs/dbraw/zinc/29/53/79/789295379.db2.gz XXQMIUGUUDDDHX-ZBFHGGJFSA-N 2 2 329.404 2.318 20 5 EEBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000072857780 216318909 /nfs/dbraw/zinc/31/89/09/216318909.db2.gz JJCLCELSQOIHKV-CYBMUJFWSA-N 2 2 335.404 2.235 20 5 EEBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000072857780 216318912 /nfs/dbraw/zinc/31/89/12/216318912.db2.gz JJCLCELSQOIHKV-CYBMUJFWSA-N 2 2 335.404 2.235 20 5 EEBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000072857780 216318914 /nfs/dbraw/zinc/31/89/14/216318914.db2.gz JJCLCELSQOIHKV-CYBMUJFWSA-N 2 2 335.404 2.235 20 5 EEBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000072857780 216318917 /nfs/dbraw/zinc/31/89/17/216318917.db2.gz JJCLCELSQOIHKV-CYBMUJFWSA-N 2 2 335.404 2.235 20 5 EEBDLP CC[NH+]1CCN([C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000093132755 218195990 /nfs/dbraw/zinc/19/59/90/218195990.db2.gz FRJRPOPUVSBQBC-FZMUQLTDSA-N 2 2 344.459 2.320 20 5 EEBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000093132755 218195992 /nfs/dbraw/zinc/19/59/92/218195992.db2.gz FRJRPOPUVSBQBC-FZMUQLTDSA-N 2 2 344.459 2.320 20 5 EEBDLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000173620849 152182720 /nfs/dbraw/zinc/18/27/20/152182720.db2.gz YQRUEGOOZHAPQB-QGZVFWFLSA-N 2 2 346.431 2.163 20 5 EEBDLP C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374322448 154051212 /nfs/dbraw/zinc/05/12/12/154051212.db2.gz DARUNCYQFVLKEX-RDJZCZTQSA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374322448 154051222 /nfs/dbraw/zinc/05/12/22/154051222.db2.gz DARUNCYQFVLKEX-RDJZCZTQSA-N 2 2 332.448 2.053 20 5 EEBDLP C[N@H+](C[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000566556507 319300195 /nfs/dbraw/zinc/30/01/95/319300195.db2.gz NXFGEMVIFNYZQW-CQSZACIVSA-N 2 2 347.337 2.158 20 5 EEBDLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000566556507 319300197 /nfs/dbraw/zinc/30/01/97/319300197.db2.gz NXFGEMVIFNYZQW-CQSZACIVSA-N 2 2 347.337 2.158 20 5 EEBDLP C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCC[NH+](C)C1 ZINC000152359337 463680471 /nfs/dbraw/zinc/68/04/71/463680471.db2.gz PBNCVAFNHPFSKC-ZDUSSCGKSA-N 2 2 335.404 2.235 20 5 EEBDLP C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCC[NH+](C)C1 ZINC000152359337 463680473 /nfs/dbraw/zinc/68/04/73/463680473.db2.gz PBNCVAFNHPFSKC-ZDUSSCGKSA-N 2 2 335.404 2.235 20 5 EEBDLP C[NH+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCC[N@H+](C)C1 ZINC000152359337 463680476 /nfs/dbraw/zinc/68/04/76/463680476.db2.gz PBNCVAFNHPFSKC-ZDUSSCGKSA-N 2 2 335.404 2.235 20 5 EEBDLP C[NH+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000152359337 463680480 /nfs/dbraw/zinc/68/04/80/463680480.db2.gz PBNCVAFNHPFSKC-ZDUSSCGKSA-N 2 2 335.404 2.235 20 5 EEBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283398815 463872417 /nfs/dbraw/zinc/87/24/17/463872417.db2.gz VABIMJDEQXZSDQ-CABCVRRESA-N 2 2 346.431 2.482 20 5 EEBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283398815 463872420 /nfs/dbraw/zinc/87/24/20/463872420.db2.gz VABIMJDEQXZSDQ-CABCVRRESA-N 2 2 346.431 2.482 20 5 EEBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283398815 463872426 /nfs/dbraw/zinc/87/24/26/463872426.db2.gz VABIMJDEQXZSDQ-CABCVRRESA-N 2 2 346.431 2.482 20 5 EEBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283398815 463872427 /nfs/dbraw/zinc/87/24/27/463872427.db2.gz VABIMJDEQXZSDQ-CABCVRRESA-N 2 2 346.431 2.482 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265508207 464584978 /nfs/dbraw/zinc/58/49/78/464584978.db2.gz QRVLRGZHCTYDQA-UONOGXRCSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265508207 464584981 /nfs/dbraw/zinc/58/49/81/464584981.db2.gz QRVLRGZHCTYDQA-UONOGXRCSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265508207 464584986 /nfs/dbraw/zinc/58/49/86/464584986.db2.gz QRVLRGZHCTYDQA-UONOGXRCSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265508207 464584991 /nfs/dbraw/zinc/58/49/91/464584991.db2.gz QRVLRGZHCTYDQA-UONOGXRCSA-N 2 2 334.420 2.195 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NC[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591577698 468486558 /nfs/dbraw/zinc/48/65/58/468486558.db2.gz BBABGGYSYCGKDM-GDBMZVCRSA-N 2 2 329.404 2.149 20 5 EEBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000373462112 466811619 /nfs/dbraw/zinc/81/16/19/466811619.db2.gz YGERPJFVBWNYPJ-GDBMZVCRSA-N 2 2 343.431 2.329 20 5 EEBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000373462112 466811624 /nfs/dbraw/zinc/81/16/24/466811624.db2.gz YGERPJFVBWNYPJ-GDBMZVCRSA-N 2 2 343.431 2.329 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865452 468226431 /nfs/dbraw/zinc/22/64/31/468226431.db2.gz NSUJCNMBQLOQIS-QWHCGFSZSA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865452 468226437 /nfs/dbraw/zinc/22/64/37/468226437.db2.gz NSUJCNMBQLOQIS-QWHCGFSZSA-N 2 2 343.387 2.145 20 5 EEBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000602835862 469108447 /nfs/dbraw/zinc/10/84/47/469108447.db2.gz JZLYZSXBRCUOAG-UHFFFAOYSA-N 2 2 343.431 2.354 20 5 EEBDLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609157431 469898756 /nfs/dbraw/zinc/89/87/56/469898756.db2.gz OUVRYELRZKPJJD-ZDUSSCGKSA-N 2 2 329.360 2.067 20 5 EEBDLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609157431 469898763 /nfs/dbraw/zinc/89/87/63/469898763.db2.gz OUVRYELRZKPJJD-ZDUSSCGKSA-N 2 2 329.360 2.067 20 5 EEBDLP CC(C)[C@H](C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[NH+](C)C ZINC000813170994 1201140327 /nfs/dbraw/zinc/14/03/27/1201140327.db2.gz BJHSFQUZRDLVNO-DLBZAZTESA-N 2 2 349.431 2.299 20 5 EEBDLP CC(C)[C@H](C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[NH+](C)C ZINC000813170994 1201140332 /nfs/dbraw/zinc/14/03/32/1201140332.db2.gz BJHSFQUZRDLVNO-DLBZAZTESA-N 2 2 349.431 2.299 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1F ZINC001246566253 1310344655 /nfs/dbraw/zinc/34/46/55/1310344655.db2.gz FMNIZNRNIKTIAU-CYZMBNFOSA-N 2 2 343.374 2.435 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1F ZINC001246566253 1310344668 /nfs/dbraw/zinc/34/46/68/1310344668.db2.gz FMNIZNRNIKTIAU-CYZMBNFOSA-N 2 2 343.374 2.435 20 5 EEBDLP C[NH+](C)C1(CNc2cnc(Cl)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC001164211020 1321319214 /nfs/dbraw/zinc/31/92/14/1321319214.db2.gz JTFDRTIRABUALH-UHFFFAOYSA-N 2 2 327.816 2.081 20 5 EEBDLP Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420271312 239707133 /nfs/dbraw/zinc/70/71/33/239707133.db2.gz HLPSRBOBRNJMCX-TZMCWYRMSA-N 2 2 327.388 2.321 20 5 EEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000271123883 256210197 /nfs/dbraw/zinc/21/01/97/256210197.db2.gz KAPDJYPKSFNBKG-ZFWWWQNUSA-N 2 2 337.420 2.101 20 5 EEBDLP Cc1cc(NCC2=CC[N@H+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000342775762 161089794 /nfs/dbraw/zinc/08/97/94/161089794.db2.gz AHIOVXNRRPUVDB-UHFFFAOYSA-N 2 2 339.399 2.456 20 5 EEBDLP Cc1cc(NCC2=CC[N@@H+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000342775762 161089795 /nfs/dbraw/zinc/08/97/95/161089795.db2.gz AHIOVXNRRPUVDB-UHFFFAOYSA-N 2 2 339.399 2.456 20 5 EEBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000369265379 166224108 /nfs/dbraw/zinc/22/41/08/166224108.db2.gz GGMZPDRSCXDCNW-GFCCVEGCSA-N 2 2 349.391 2.083 20 5 EEBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000369265379 166224112 /nfs/dbraw/zinc/22/41/12/166224112.db2.gz GGMZPDRSCXDCNW-GFCCVEGCSA-N 2 2 349.391 2.083 20 5 EEBDLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352488502 303389428 /nfs/dbraw/zinc/38/94/28/303389428.db2.gz QXIDWDUHXFYNGW-GFCCVEGCSA-N 2 2 340.811 2.390 20 5 EEBDLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352488502 303389429 /nfs/dbraw/zinc/38/94/29/303389429.db2.gz QXIDWDUHXFYNGW-GFCCVEGCSA-N 2 2 340.811 2.390 20 5 EEBDLP CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448688211 315375961 /nfs/dbraw/zinc/37/59/61/315375961.db2.gz AHGMAHFGIWDPBQ-UHFFFAOYSA-N 2 2 345.403 2.241 20 5 EEBDLP CC(C)[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448688211 315375962 /nfs/dbraw/zinc/37/59/62/315375962.db2.gz AHGMAHFGIWDPBQ-UHFFFAOYSA-N 2 2 345.403 2.241 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536066740 468341767 /nfs/dbraw/zinc/34/17/67/468341767.db2.gz IRTCPDLWTPNQOU-STQMWFEESA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536066740 468341771 /nfs/dbraw/zinc/34/17/71/468341771.db2.gz IRTCPDLWTPNQOU-STQMWFEESA-N 2 2 343.387 2.145 20 5 EEBDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000071892872 463459339 /nfs/dbraw/zinc/45/93/39/463459339.db2.gz GIGJVECCEPVZRZ-QGZVFWFLSA-N 2 2 332.448 2.197 20 5 EEBDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000071892872 463459344 /nfs/dbraw/zinc/45/93/44/463459344.db2.gz GIGJVECCEPVZRZ-QGZVFWFLSA-N 2 2 332.448 2.197 20 5 EEBDLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186578396 464026468 /nfs/dbraw/zinc/02/64/68/464026468.db2.gz ZUXWNENINLTYIE-NVXWUHKLSA-N 2 2 335.448 2.210 20 5 EEBDLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186578396 464026472 /nfs/dbraw/zinc/02/64/72/464026472.db2.gz ZUXWNENINLTYIE-NVXWUHKLSA-N 2 2 335.448 2.210 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000373779302 466918353 /nfs/dbraw/zinc/91/83/53/466918353.db2.gz XSTNLMUTBARGHI-QILLFSRXSA-N 2 2 349.431 2.287 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000373779302 466918357 /nfs/dbraw/zinc/91/83/57/466918357.db2.gz XSTNLMUTBARGHI-QILLFSRXSA-N 2 2 349.431 2.287 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420359280 467377846 /nfs/dbraw/zinc/37/78/46/467377846.db2.gz KGHKQUBFOVXZOL-MRXNPFEDSA-N 2 2 334.420 2.339 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CCC2 ZINC000453250400 467469208 /nfs/dbraw/zinc/46/92/08/467469208.db2.gz ACUUZJPPOAULIE-SJLPKXTDSA-N 2 2 333.432 2.409 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000453250400 467469213 /nfs/dbraw/zinc/46/92/13/467469213.db2.gz ACUUZJPPOAULIE-SJLPKXTDSA-N 2 2 333.432 2.409 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449384971 467634853 /nfs/dbraw/zinc/63/48/53/467634853.db2.gz DARLMRLYHIZSKM-RXBGNRNISA-N 2 2 333.432 2.435 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449384971 467634854 /nfs/dbraw/zinc/63/48/54/467634854.db2.gz DARLMRLYHIZSKM-RXBGNRNISA-N 2 2 333.432 2.435 20 5 EEBDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000520219564 468234439 /nfs/dbraw/zinc/23/44/39/468234439.db2.gz HOCFXUVXSURJOL-AWEZNQCLSA-N 2 2 334.420 2.387 20 5 EEBDLP CC[N@H+]1CCCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000520219564 468234445 /nfs/dbraw/zinc/23/44/45/468234445.db2.gz HOCFXUVXSURJOL-AWEZNQCLSA-N 2 2 334.420 2.387 20 5 EEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594993310 468739970 /nfs/dbraw/zinc/73/99/70/468739970.db2.gz NTBBZSJXBHAZTA-QGZVFWFLSA-N 2 2 349.431 2.336 20 5 EEBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCCn3cc[nH+]c3)CC2)cn1 ZINC000602519191 469347354 /nfs/dbraw/zinc/34/73/54/469347354.db2.gz USMFDLJCGAXOHQ-UHFFFAOYSA-N 2 2 344.419 2.225 20 5 EEBDLP CC1(C)CC[N@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000898034186 691856926 /nfs/dbraw/zinc/85/69/26/691856926.db2.gz KCDDEYUABCJDIO-UHFFFAOYSA-N 2 2 347.463 2.280 20 5 EEBDLP CC1(C)CC[N@@H+](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000898034186 691856929 /nfs/dbraw/zinc/85/69/29/691856929.db2.gz KCDDEYUABCJDIO-UHFFFAOYSA-N 2 2 347.463 2.280 20 5 EEBDLP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(C[NH3+])CC1 ZINC000843344923 1315894552 /nfs/dbraw/zinc/89/45/52/1315894552.db2.gz HBZDEUDDQAQUDN-JTQLQIEISA-N 2 2 340.811 2.246 20 5 EEBDLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817953700 785102650 /nfs/dbraw/zinc/10/26/50/785102650.db2.gz SYFAMSBESHYSIZ-LBPRGKRZSA-N 2 2 342.403 2.155 20 5 EEBDLP O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000152105127 794554198 /nfs/dbraw/zinc/55/41/98/794554198.db2.gz GXAYBQDJCNIGGT-UHFFFAOYSA-N 2 2 326.360 2.436 20 5 EEBDLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173227541 797311528 /nfs/dbraw/zinc/31/15/28/797311528.db2.gz PMSKZIBVYSPJMU-QILLFSRXSA-N 2 2 333.432 2.178 20 5 EEBDLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173227541 797311535 /nfs/dbraw/zinc/31/15/35/797311535.db2.gz PMSKZIBVYSPJMU-QILLFSRXSA-N 2 2 333.432 2.178 20 5 EEBDLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173227541 797311542 /nfs/dbraw/zinc/31/15/42/797311542.db2.gz PMSKZIBVYSPJMU-QILLFSRXSA-N 2 2 333.432 2.178 20 5 EEBDLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173227541 797311548 /nfs/dbraw/zinc/31/15/48/797311548.db2.gz PMSKZIBVYSPJMU-QILLFSRXSA-N 2 2 333.432 2.178 20 5 EEBDLP CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451104463 243003169 /nfs/dbraw/zinc/00/31/69/243003169.db2.gz KLWASRWKUMDMAI-UHFFFAOYSA-N 2 2 345.403 2.194 20 5 EEBDLP C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374322449 154049936 /nfs/dbraw/zinc/04/99/36/154049936.db2.gz DARUNCYQFVLKEX-WBVHZDCISA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374322449 154049942 /nfs/dbraw/zinc/04/99/42/154049942.db2.gz DARUNCYQFVLKEX-WBVHZDCISA-N 2 2 332.448 2.053 20 5 EEBDLP CC1(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279052273 269258717 /nfs/dbraw/zinc/25/87/17/269258717.db2.gz KGFBDLBBWFBGRB-WMLDXEAASA-N 2 2 333.432 2.364 20 5 EEBDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)[nH+]1 ZINC000365843982 281245819 /nfs/dbraw/zinc/24/58/19/281245819.db2.gz SBOBUBRLDYLKFL-CQSZACIVSA-N 2 2 330.392 2.071 20 5 EEBDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)[nH+]1 ZINC000365843982 281245820 /nfs/dbraw/zinc/24/58/20/281245820.db2.gz SBOBUBRLDYLKFL-CQSZACIVSA-N 2 2 330.392 2.071 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423327064 294415513 /nfs/dbraw/zinc/41/55/13/294415513.db2.gz CTIBABVVIQDDHN-FUHWJXTLSA-N 2 2 343.431 2.397 20 5 EEBDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414949722 313114112 /nfs/dbraw/zinc/11/41/12/313114112.db2.gz GNJRUJMISUNMMN-LRDDRELGSA-N 2 2 329.404 2.225 20 5 EEBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278957820 464015508 /nfs/dbraw/zinc/01/55/08/464015508.db2.gz BBSIMBKZIXSFIV-PBHICJAKSA-N 2 2 332.448 2.153 20 5 EEBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278957820 464015515 /nfs/dbraw/zinc/01/55/15/464015515.db2.gz BBSIMBKZIXSFIV-PBHICJAKSA-N 2 2 332.448 2.153 20 5 EEBDLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237448069 464321945 /nfs/dbraw/zinc/32/19/45/464321945.db2.gz XINCVLWFSGHONH-JSGCOSHPSA-N 2 2 343.387 2.122 20 5 EEBDLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000554606506 468430163 /nfs/dbraw/zinc/43/01/63/468430163.db2.gz WLKVAIMXOZTJAQ-ZDUSSCGKSA-N 2 2 337.420 2.432 20 5 EEBDLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000554606506 468430170 /nfs/dbraw/zinc/43/01/70/468430170.db2.gz WLKVAIMXOZTJAQ-ZDUSSCGKSA-N 2 2 337.420 2.432 20 5 EEBDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357059498 465734395 /nfs/dbraw/zinc/73/43/95/465734395.db2.gz XFHQNJPUJZFRAJ-HUUCEWRRSA-N 2 2 341.415 2.037 20 5 EEBDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357059498 465734401 /nfs/dbraw/zinc/73/44/01/465734401.db2.gz XFHQNJPUJZFRAJ-HUUCEWRRSA-N 2 2 341.415 2.037 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCn1cc[nH+]c1 ZINC000349530262 466134086 /nfs/dbraw/zinc/13/40/86/466134086.db2.gz ROSJGGNZGQMCGO-UHFFFAOYSA-N 2 2 345.403 2.126 20 5 EEBDLP C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362080233 466540153 /nfs/dbraw/zinc/54/01/53/466540153.db2.gz RJXKBXDMBGOKQG-MAUKXSAKSA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362080233 466540159 /nfs/dbraw/zinc/54/01/59/466540159.db2.gz RJXKBXDMBGOKQG-MAUKXSAKSA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449386969 467635392 /nfs/dbraw/zinc/63/53/92/467635392.db2.gz KEZNQKDLPYWSMX-RDJZCZTQSA-N 2 2 335.448 2.352 20 5 EEBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449386969 467635393 /nfs/dbraw/zinc/63/53/93/467635393.db2.gz KEZNQKDLPYWSMX-RDJZCZTQSA-N 2 2 335.448 2.352 20 5 EEBDLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000582735203 468587118 /nfs/dbraw/zinc/58/71/18/468587118.db2.gz DMXYJKJWTCVFNF-WMLDXEAASA-N 2 2 333.432 2.265 20 5 EEBDLP Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000178201687 534325248 /nfs/dbraw/zinc/32/52/48/534325248.db2.gz ZXOZRFADUOTYBB-UHFFFAOYSA-N 2 2 333.436 2.269 20 5 EEBDLP C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+]1CCCCC1 ZINC000876957669 1199829381 /nfs/dbraw/zinc/82/93/81/1199829381.db2.gz YVYLPZJBJWDODD-HNNXBMFYSA-N 2 2 347.463 2.423 20 5 EEBDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232221674 1304042854 /nfs/dbraw/zinc/04/28/54/1304042854.db2.gz CMFAOSYALPTABV-UHFFFAOYSA-N 2 2 349.482 2.462 20 5 EEBDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc2ccc3cccnc3c2n1 ZINC001232221674 1304042861 /nfs/dbraw/zinc/04/28/61/1304042861.db2.gz CMFAOSYALPTABV-UHFFFAOYSA-N 2 2 349.482 2.462 20 5 EEBDLP COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001246584322 1310349025 /nfs/dbraw/zinc/34/90/25/1310349025.db2.gz IYRRXTJXXKZBHV-TUKIKUTGSA-N 2 2 325.384 2.296 20 5 EEBDLP COc1ccc(C[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c([N+](=O)[O-])c1 ZINC001246584322 1310349035 /nfs/dbraw/zinc/34/90/35/1310349035.db2.gz IYRRXTJXXKZBHV-TUKIKUTGSA-N 2 2 325.384 2.296 20 5 EEBDLP O=[N+]([O-])c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1-n1cc[nH+]c1 ZINC000842642974 1315743122 /nfs/dbraw/zinc/74/31/22/1315743122.db2.gz WXXIVGKOKNLYDS-LLVKDONJSA-N 2 2 326.316 2.255 20 5 EEBDLP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129547567 223068727 /nfs/dbraw/zinc/06/87/27/223068727.db2.gz ANWCAYKBYXZMPC-INIZCTEOSA-N 2 2 349.431 2.018 20 5 EEBDLP O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129547567 223068730 /nfs/dbraw/zinc/06/87/30/223068730.db2.gz ANWCAYKBYXZMPC-INIZCTEOSA-N 2 2 349.431 2.018 20 5 EEBDLP C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842290 221194185 /nfs/dbraw/zinc/19/41/85/221194185.db2.gz VALKKKWVZMFZNI-CYBMUJFWSA-N 2 2 345.403 2.418 20 5 EEBDLP C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842290 221194186 /nfs/dbraw/zinc/19/41/86/221194186.db2.gz VALKKKWVZMFZNI-CYBMUJFWSA-N 2 2 345.403 2.418 20 5 EEBDLP C[NH+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842290 221194189 /nfs/dbraw/zinc/19/41/89/221194189.db2.gz VALKKKWVZMFZNI-CYBMUJFWSA-N 2 2 345.403 2.418 20 5 EEBDLP C[NH+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842290 221194190 /nfs/dbraw/zinc/19/41/90/221194190.db2.gz VALKKKWVZMFZNI-CYBMUJFWSA-N 2 2 345.403 2.418 20 5 EEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000271123877 256210539 /nfs/dbraw/zinc/21/05/39/256210539.db2.gz KAPDJYPKSFNBKG-DZGCQCFKSA-N 2 2 337.420 2.101 20 5 EEBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000420324220 295276383 /nfs/dbraw/zinc/27/63/83/295276383.db2.gz HCEFEIDERQRRKL-ZDUSSCGKSA-N 2 2 339.823 2.436 20 5 EEBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000420324220 295276386 /nfs/dbraw/zinc/27/63/86/295276386.db2.gz HCEFEIDERQRRKL-ZDUSSCGKSA-N 2 2 339.823 2.436 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000574819383 320059967 /nfs/dbraw/zinc/05/99/67/320059967.db2.gz BVKXNOZCICNLFV-CYBMUJFWSA-N 2 2 343.387 2.065 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000574819383 320059968 /nfs/dbraw/zinc/05/99/68/320059968.db2.gz BVKXNOZCICNLFV-CYBMUJFWSA-N 2 2 343.387 2.065 20 5 EEBDLP CC(C)[N@H+](C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000041927702 463521830 /nfs/dbraw/zinc/52/18/30/463521830.db2.gz VXDSLDMCQDJZHN-UHFFFAOYSA-N 2 2 345.403 2.241 20 5 EEBDLP CC(C)[N@@H+](C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000041927702 463521833 /nfs/dbraw/zinc/52/18/33/463521833.db2.gz VXDSLDMCQDJZHN-UHFFFAOYSA-N 2 2 345.403 2.241 20 5 EEBDLP C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367026826 466080636 /nfs/dbraw/zinc/08/06/36/466080636.db2.gz DDCPDWHIKUAGFS-VQIMIIECSA-N 2 2 346.475 2.095 20 5 EEBDLP C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367026826 466080643 /nfs/dbraw/zinc/08/06/43/466080643.db2.gz DDCPDWHIKUAGFS-VQIMIIECSA-N 2 2 346.475 2.095 20 5 EEBDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000358174200 466513717 /nfs/dbraw/zinc/51/37/17/466513717.db2.gz XXJNHPWOQOZMJR-QGZVFWFLSA-N 2 2 331.372 2.011 20 5 EEBDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000358174200 466513722 /nfs/dbraw/zinc/51/37/22/466513722.db2.gz XXJNHPWOQOZMJR-QGZVFWFLSA-N 2 2 331.372 2.011 20 5 EEBDLP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420292627 467340785 /nfs/dbraw/zinc/34/07/85/467340785.db2.gz LTTOSKSJCSYBJV-UHFFFAOYSA-N 2 2 340.811 2.118 20 5 EEBDLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000420355408 467375037 /nfs/dbraw/zinc/37/50/37/467375037.db2.gz DYKHEJDNNUUFFR-CYBMUJFWSA-N 2 2 331.376 2.123 20 5 EEBDLP CC[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1[NH3+] ZINC000592488755 468709333 /nfs/dbraw/zinc/70/93/33/468709333.db2.gz NFHPAGTVOSLCFD-RISCZKNCSA-N 2 2 331.376 2.204 20 5 EEBDLP CC[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1[NH3+] ZINC000592488755 468709334 /nfs/dbraw/zinc/70/93/34/468709334.db2.gz NFHPAGTVOSLCFD-RISCZKNCSA-N 2 2 331.376 2.204 20 5 EEBDLP [NH3+]C1CC[NH+](CCNc2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001161867943 801533233 /nfs/dbraw/zinc/53/32/33/801533233.db2.gz YASRBIXBFXZXGV-UHFFFAOYSA-N 2 2 334.207 2.132 20 5 EEBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000125225397 292294798 /nfs/dbraw/zinc/29/47/98/292294798.db2.gz NNFOSUVSDQSINR-OAHLLOKOSA-N 2 2 333.436 2.352 20 5 EEBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000125225397 292294799 /nfs/dbraw/zinc/29/47/99/292294799.db2.gz NNFOSUVSDQSINR-OAHLLOKOSA-N 2 2 333.436 2.352 20 5 EEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000269625730 268711155 /nfs/dbraw/zinc/71/11/55/268711155.db2.gz COHYHHUINYIHIR-QAPCUYQASA-N 2 2 333.432 2.436 20 5 EEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000269625730 268711156 /nfs/dbraw/zinc/71/11/56/268711156.db2.gz COHYHHUINYIHIR-QAPCUYQASA-N 2 2 333.432 2.436 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536066739 468341516 /nfs/dbraw/zinc/34/15/16/468341516.db2.gz IRTCPDLWTPNQOU-QWHCGFSZSA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536066739 468341518 /nfs/dbraw/zinc/34/15/18/468341518.db2.gz IRTCPDLWTPNQOU-QWHCGFSZSA-N 2 2 343.387 2.145 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161339694 463422241 /nfs/dbraw/zinc/42/22/41/463422241.db2.gz QDJYUTVENOMLLK-UHFFFAOYSA-N 2 2 328.372 2.321 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344555127 465672795 /nfs/dbraw/zinc/67/27/95/465672795.db2.gz XVZJYLKBUGHPDN-IBGZPJMESA-N 2 2 341.411 2.321 20 5 EEBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423416442 466744476 /nfs/dbraw/zinc/74/44/76/466744476.db2.gz QNELANWWUSJKKL-DYVFJYSZSA-N 2 2 337.420 2.413 20 5 EEBDLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000414989759 467462428 /nfs/dbraw/zinc/46/24/28/467462428.db2.gz OAEJTZCONYYDIT-SNVBAGLBSA-N 2 2 333.335 2.074 20 5 EEBDLP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000799995652 1305531297 /nfs/dbraw/zinc/53/12/97/1305531297.db2.gz RWUCVCOEPVIQQT-AWEZNQCLSA-N 2 2 334.420 2.387 20 5 EEBDLP Cc1[nH+]cn(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1CC[NH3+] ZINC001254465650 1318081827 /nfs/dbraw/zinc/08/18/27/1318081827.db2.gz IJTDCIQKYXIIMC-UHFFFAOYSA-N 2 2 329.404 2.442 20 5 EEBDLP C[NH+](C)C1(CNc2cc([N+](=O)[O-])cc(Cl)n2)CC[NH+](C)CC1 ZINC001156176060 803243729 /nfs/dbraw/zinc/24/37/29/803243729.db2.gz JDSSGPQETUXICE-UHFFFAOYSA-N 2 2 327.816 2.081 20 5 EEBDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131425792 205287045 /nfs/dbraw/zinc/28/70/45/205287045.db2.gz DWEUTSLRWBZWID-KRWDZBQOSA-N 2 2 333.388 2.257 20 5 EEBDLP CCc1cc(NC[C@@](C)([NH3+])COC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265055976 247166148 /nfs/dbraw/zinc/16/61/48/247166148.db2.gz RBEZIRGRHLPBIE-QGZVFWFLSA-N 2 2 345.403 2.390 20 5 EEBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000292940631 293083491 /nfs/dbraw/zinc/08/34/91/293083491.db2.gz JUJJRLSQJMIYJW-GOSISDBHSA-N 2 2 347.415 2.379 20 5 EEBDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000292940631 293083494 /nfs/dbraw/zinc/08/34/94/293083494.db2.gz JUJJRLSQJMIYJW-GOSISDBHSA-N 2 2 347.415 2.379 20 5 EEBDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000292940631 293083496 /nfs/dbraw/zinc/08/34/96/293083496.db2.gz JUJJRLSQJMIYJW-GOSISDBHSA-N 2 2 347.415 2.379 20 5 EEBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000292940631 293083500 /nfs/dbraw/zinc/08/35/00/293083500.db2.gz JUJJRLSQJMIYJW-GOSISDBHSA-N 2 2 347.415 2.379 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843535 462857118 /nfs/dbraw/zinc/85/71/18/462857118.db2.gz ZNXPUFAKZUAEHT-ZIAGYGMSSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843535 462857122 /nfs/dbraw/zinc/85/71/22/462857122.db2.gz ZNXPUFAKZUAEHT-ZIAGYGMSSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843535 462857126 /nfs/dbraw/zinc/85/71/26/462857126.db2.gz ZNXPUFAKZUAEHT-ZIAGYGMSSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843535 462857130 /nfs/dbraw/zinc/85/71/30/462857130.db2.gz ZNXPUFAKZUAEHT-ZIAGYGMSSA-N 2 2 334.420 2.195 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139819662 463332383 /nfs/dbraw/zinc/33/23/83/463332383.db2.gz PWTOOYZTJQYGDL-PBHICJAKSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139819662 463332387 /nfs/dbraw/zinc/33/23/87/463332387.db2.gz PWTOOYZTJQYGDL-PBHICJAKSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139819662 463332390 /nfs/dbraw/zinc/33/23/90/463332390.db2.gz PWTOOYZTJQYGDL-PBHICJAKSA-N 2 2 346.431 2.258 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139819662 463332394 /nfs/dbraw/zinc/33/23/94/463332394.db2.gz PWTOOYZTJQYGDL-PBHICJAKSA-N 2 2 346.431 2.258 20 5 EEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000072637087 463528624 /nfs/dbraw/zinc/52/86/24/463528624.db2.gz ZWJADRJWEGKQBB-HOTGVXAUSA-N 2 2 332.448 2.368 20 5 EEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000072637087 463528627 /nfs/dbraw/zinc/52/86/27/463528627.db2.gz ZWJADRJWEGKQBB-HOTGVXAUSA-N 2 2 332.448 2.368 20 5 EEBDLP [NH3+][C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000591275507 468435462 /nfs/dbraw/zinc/43/54/62/468435462.db2.gz NPYRKLLHKMLFLA-AWEZNQCLSA-N 2 2 329.356 2.156 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294264 465694202 /nfs/dbraw/zinc/69/42/02/465694202.db2.gz JQQPCTJKFWKONU-YXJHDRRASA-N 2 2 349.431 2.287 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294264 465694210 /nfs/dbraw/zinc/69/42/10/465694210.db2.gz JQQPCTJKFWKONU-YXJHDRRASA-N 2 2 349.431 2.287 20 5 EEBDLP C[C@H](CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000353504602 465939027 /nfs/dbraw/zinc/93/90/27/465939027.db2.gz SHQGYPQSRSVWMR-CXAGYDPISA-N 2 2 343.431 2.490 20 5 EEBDLP C[C@H](CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000353504602 465939028 /nfs/dbraw/zinc/93/90/28/465939028.db2.gz SHQGYPQSRSVWMR-CXAGYDPISA-N 2 2 343.431 2.490 20 5 EEBDLP C[C@@H]1C[C@H](N[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000423391514 466736721 /nfs/dbraw/zinc/73/67/21/466736721.db2.gz WXLASEPIQAYCGG-XNRPHZJLSA-N 2 2 329.404 2.148 20 5 EEBDLP Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420236464 467327388 /nfs/dbraw/zinc/32/73/88/467327388.db2.gz FBCLDYHOZXHCQF-OKILXGFUSA-N 2 2 325.372 2.016 20 5 EEBDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590375080 468242556 /nfs/dbraw/zinc/24/25/56/468242556.db2.gz QTOKSWDOCDGVSZ-SFHVURJKSA-N 2 2 347.415 2.284 20 5 EEBDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590375080 468242561 /nfs/dbraw/zinc/24/25/61/468242561.db2.gz QTOKSWDOCDGVSZ-SFHVURJKSA-N 2 2 347.415 2.284 20 5 EEBDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590375080 468242564 /nfs/dbraw/zinc/24/25/64/468242564.db2.gz QTOKSWDOCDGVSZ-SFHVURJKSA-N 2 2 347.415 2.284 20 5 EEBDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C2)C1 ZINC000590375080 468242568 /nfs/dbraw/zinc/24/25/68/468242568.db2.gz QTOKSWDOCDGVSZ-SFHVURJKSA-N 2 2 347.415 2.284 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000595018559 468743844 /nfs/dbraw/zinc/74/38/44/468743844.db2.gz RVHRMDQGHPCCCM-ZDUSSCGKSA-N 2 2 337.420 2.101 20 5 EEBDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602704621 469021986 /nfs/dbraw/zinc/02/19/86/469021986.db2.gz BKOTWSYVHUAWCN-HNNXBMFYSA-N 2 2 347.463 2.421 20 5 EEBDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602704621 469021992 /nfs/dbraw/zinc/02/19/92/469021992.db2.gz BKOTWSYVHUAWCN-HNNXBMFYSA-N 2 2 347.463 2.421 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NCC1([NH3+])CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000596649032 469321217 /nfs/dbraw/zinc/32/12/17/469321217.db2.gz XFTPEPVRGPFXPI-HNNXBMFYSA-N 2 2 329.404 2.279 20 5 EEBDLP O=C(CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609157461 469898580 /nfs/dbraw/zinc/89/85/80/469898580.db2.gz RUIBLBADMCYVER-CQSZACIVSA-N 2 2 343.387 2.457 20 5 EEBDLP O=C(CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000609157461 469898582 /nfs/dbraw/zinc/89/85/82/469898582.db2.gz RUIBLBADMCYVER-CQSZACIVSA-N 2 2 343.387 2.457 20 5 EEBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181817627 529130297 /nfs/dbraw/zinc/13/02/97/529130297.db2.gz QCLKIATUZHSLPS-HUUCEWRRSA-N 2 2 348.447 2.106 20 5 EEBDLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979036 1297888947 /nfs/dbraw/zinc/88/89/47/1297888947.db2.gz GZWAWKVOKAECPV-CQSZACIVSA-N 2 2 332.367 2.015 20 5 EEBDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001251861447 1317511036 /nfs/dbraw/zinc/51/10/36/1317511036.db2.gz BJTKHOMXIGQCHJ-UHFFFAOYSA-N 2 2 338.327 2.318 20 5 EEBDLP CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000823305879 787664136 /nfs/dbraw/zinc/66/41/36/787664136.db2.gz OWEBRYPUDNHYBB-AWEZNQCLSA-N 2 2 345.403 2.097 20 5 EEBDLP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129547787 205200080 /nfs/dbraw/zinc/20/00/80/205200080.db2.gz ANWCAYKBYXZMPC-MRXNPFEDSA-N 2 2 349.431 2.018 20 5 EEBDLP O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129547787 205200084 /nfs/dbraw/zinc/20/00/84/205200084.db2.gz ANWCAYKBYXZMPC-MRXNPFEDSA-N 2 2 349.431 2.018 20 5 EEBDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000246155467 160265106 /nfs/dbraw/zinc/26/51/06/160265106.db2.gz HRZQRCFRBCAGCO-CVEARBPZSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000246155467 160265107 /nfs/dbraw/zinc/26/51/07/160265107.db2.gz HRZQRCFRBCAGCO-CVEARBPZSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000246155467 160265108 /nfs/dbraw/zinc/26/51/08/160265108.db2.gz HRZQRCFRBCAGCO-CVEARBPZSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000246155467 160265109 /nfs/dbraw/zinc/26/51/09/160265109.db2.gz HRZQRCFRBCAGCO-CVEARBPZSA-N 2 2 335.452 2.378 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000352617757 162213848 /nfs/dbraw/zinc/21/38/48/162213848.db2.gz IOTCTNOUXXWJNP-COXVUDFISA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000352617757 162213849 /nfs/dbraw/zinc/21/38/49/162213849.db2.gz IOTCTNOUXXWJNP-COXVUDFISA-N 2 2 337.395 2.417 20 5 EEBDLP Cc1c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000364547612 165179244 /nfs/dbraw/zinc/17/92/44/165179244.db2.gz RTLLHYXKCAQMDG-QGZVFWFLSA-N 2 2 332.448 2.115 20 5 EEBDLP Cc1c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000364547612 165179245 /nfs/dbraw/zinc/17/92/45/165179245.db2.gz RTLLHYXKCAQMDG-QGZVFWFLSA-N 2 2 332.448 2.115 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374430256 167041655 /nfs/dbraw/zinc/04/16/55/167041655.db2.gz RWKMPJBFQNOYDC-OIISXLGYSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374430256 167041656 /nfs/dbraw/zinc/04/16/56/167041656.db2.gz RWKMPJBFQNOYDC-OIISXLGYSA-N 2 2 337.395 2.417 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000194703783 281256904 /nfs/dbraw/zinc/25/69/04/281256904.db2.gz QJZKLJCHMXVUHU-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000194703783 281256908 /nfs/dbraw/zinc/25/69/08/281256908.db2.gz QJZKLJCHMXVUHU-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292842176 464360875 /nfs/dbraw/zinc/36/08/75/464360875.db2.gz BGBXJPCYWWNNHX-KDOFPFPSSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292842176 464360881 /nfs/dbraw/zinc/36/08/81/464360881.db2.gz BGBXJPCYWWNNHX-KDOFPFPSSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292842176 464360885 /nfs/dbraw/zinc/36/08/85/464360885.db2.gz BGBXJPCYWWNNHX-KDOFPFPSSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292842176 464360891 /nfs/dbraw/zinc/36/08/91/464360891.db2.gz BGBXJPCYWWNNHX-KDOFPFPSSA-N 2 2 346.431 2.340 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348523878 465652098 /nfs/dbraw/zinc/65/20/98/465652098.db2.gz BKONITWUIYKXNI-CYBMUJFWSA-N 2 2 343.387 2.444 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348523878 465652107 /nfs/dbraw/zinc/65/21/07/465652107.db2.gz BKONITWUIYKXNI-CYBMUJFWSA-N 2 2 343.387 2.444 20 5 EEBDLP C[C@@H]1C[C@@H](N[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000423377152 466732384 /nfs/dbraw/zinc/73/23/84/466732384.db2.gz JXNBMIRZQLACMM-IVMMDQJWSA-N 2 2 329.404 2.148 20 5 EEBDLP C[C@@H]1C[C@H](N[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000423377156 466732432 /nfs/dbraw/zinc/73/24/32/466732432.db2.gz JXNBMIRZQLACMM-XPKDYRNWSA-N 2 2 329.404 2.148 20 5 EEBDLP CCc1cc(NCC2([NH3+])CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420228219 467325347 /nfs/dbraw/zinc/32/53/47/467325347.db2.gz KSYAZMXICFTBBE-UHFFFAOYSA-N 2 2 327.388 2.329 20 5 EEBDLP Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420271304 467333346 /nfs/dbraw/zinc/33/33/46/467333346.db2.gz HLPSRBOBRNJMCX-JSGCOSHPSA-N 2 2 327.388 2.321 20 5 EEBDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521861 468887473 /nfs/dbraw/zinc/88/74/73/468887473.db2.gz FXDSCXQLLXMSFW-AEFFLSMTSA-N 2 2 335.448 2.475 20 5 EEBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521861 468887479 /nfs/dbraw/zinc/88/74/79/468887479.db2.gz FXDSCXQLLXMSFW-AEFFLSMTSA-N 2 2 335.448 2.475 20 5 EEBDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521861 468887484 /nfs/dbraw/zinc/88/74/84/468887484.db2.gz FXDSCXQLLXMSFW-AEFFLSMTSA-N 2 2 335.448 2.475 20 5 EEBDLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521861 468887488 /nfs/dbraw/zinc/88/74/88/468887488.db2.gz FXDSCXQLLXMSFW-AEFFLSMTSA-N 2 2 335.448 2.475 20 5 EEBDLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)C1 ZINC001158261898 1319122487 /nfs/dbraw/zinc/12/24/87/1319122487.db2.gz PDSKBVLMMAPMQZ-CYBMUJFWSA-N 2 2 341.415 2.145 20 5 EEBDLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)C1 ZINC001158261898 1319122500 /nfs/dbraw/zinc/12/25/00/1319122500.db2.gz PDSKBVLMMAPMQZ-CYBMUJFWSA-N 2 2 341.415 2.145 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786813881 806910317 /nfs/dbraw/zinc/91/03/17/806910317.db2.gz NIXVOZQDYNPIPH-VECLJIIPSA-N 2 2 331.416 2.451 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000786813881 806910321 /nfs/dbraw/zinc/91/03/21/806910321.db2.gz NIXVOZQDYNPIPH-VECLJIIPSA-N 2 2 331.416 2.451 20 5 EEBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018710 803586879 /nfs/dbraw/zinc/58/68/79/803586879.db2.gz CDFKFSYNUWBQFN-YRXWBPOGSA-N 2 2 344.459 2.281 20 5 EEBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018710 803586884 /nfs/dbraw/zinc/58/68/84/803586884.db2.gz CDFKFSYNUWBQFN-YRXWBPOGSA-N 2 2 344.459 2.281 20 5 EEBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018710 803586887 /nfs/dbraw/zinc/58/68/87/803586887.db2.gz CDFKFSYNUWBQFN-YRXWBPOGSA-N 2 2 344.459 2.281 20 5 EEBDLP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)C1 ZINC001169018710 803586889 /nfs/dbraw/zinc/58/68/89/803586889.db2.gz CDFKFSYNUWBQFN-YRXWBPOGSA-N 2 2 344.459 2.281 20 5 EEBDLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549658 243153806 /nfs/dbraw/zinc/15/38/06/243153806.db2.gz PZCDFVLAEGNPDA-CRAIPNDOSA-N 2 2 333.432 2.229 20 5 EEBDLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549658 243153808 /nfs/dbraw/zinc/15/38/08/243153808.db2.gz PZCDFVLAEGNPDA-CRAIPNDOSA-N 2 2 333.432 2.229 20 5 EEBDLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549658 243153810 /nfs/dbraw/zinc/15/38/10/243153810.db2.gz PZCDFVLAEGNPDA-CRAIPNDOSA-N 2 2 333.432 2.229 20 5 EEBDLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549658 243153816 /nfs/dbraw/zinc/15/38/16/243153816.db2.gz PZCDFVLAEGNPDA-CRAIPNDOSA-N 2 2 333.432 2.229 20 5 EEBDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576574477 320183868 /nfs/dbraw/zinc/18/38/68/320183868.db2.gz OZQDQISWIICNSR-HNNXBMFYSA-N 2 2 333.432 2.322 20 5 EEBDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576574477 320183871 /nfs/dbraw/zinc/18/38/71/320183871.db2.gz OZQDQISWIICNSR-HNNXBMFYSA-N 2 2 333.432 2.322 20 5 EEBDLP CC[NH+](CC)CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272516395 464640517 /nfs/dbraw/zinc/64/05/17/464640517.db2.gz KDQNCBKNQQVVGM-INIZCTEOSA-N 2 2 331.420 2.349 20 5 EEBDLP CN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000266943414 464879613 /nfs/dbraw/zinc/87/96/13/464879613.db2.gz RXPMQZYMDCSXDE-CYBMUJFWSA-N 2 2 343.387 2.160 20 5 EEBDLP CN(C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000266943414 464879618 /nfs/dbraw/zinc/87/96/18/464879618.db2.gz RXPMQZYMDCSXDE-CYBMUJFWSA-N 2 2 343.387 2.160 20 5 EEBDLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000554606505 468430222 /nfs/dbraw/zinc/43/02/22/468430222.db2.gz WLKVAIMXOZTJAQ-CYBMUJFWSA-N 2 2 337.420 2.432 20 5 EEBDLP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000554606505 468430226 /nfs/dbraw/zinc/43/02/26/468430226.db2.gz WLKVAIMXOZTJAQ-CYBMUJFWSA-N 2 2 337.420 2.432 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)OCCO2 ZINC000591282651 468438079 /nfs/dbraw/zinc/43/80/79/468438079.db2.gz KTWWZHBISOEPJL-CYBMUJFWSA-N 2 2 333.388 2.130 20 5 EEBDLP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357059500 465734101 /nfs/dbraw/zinc/73/41/01/465734101.db2.gz XFHQNJPUJZFRAJ-LSDHHAIUSA-N 2 2 341.415 2.037 20 5 EEBDLP Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357059500 465734106 /nfs/dbraw/zinc/73/41/06/465734106.db2.gz XFHQNJPUJZFRAJ-LSDHHAIUSA-N 2 2 341.415 2.037 20 5 EEBDLP CC[N@H+](CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353493874 465929834 /nfs/dbraw/zinc/92/98/34/465929834.db2.gz ABLQNHMGUQXMHX-KRWDZBQOSA-N 2 2 343.431 2.492 20 5 EEBDLP CC[N@@H+](CCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353493874 465929843 /nfs/dbraw/zinc/92/98/43/465929843.db2.gz ABLQNHMGUQXMHX-KRWDZBQOSA-N 2 2 343.431 2.492 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000373779300 466918465 /nfs/dbraw/zinc/91/84/65/466918465.db2.gz XSTNLMUTBARGHI-QGPMSJSTSA-N 2 2 349.431 2.287 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000373779300 466918472 /nfs/dbraw/zinc/91/84/72/466918472.db2.gz XSTNLMUTBARGHI-QGPMSJSTSA-N 2 2 349.431 2.287 20 5 EEBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532530735 468123019 /nfs/dbraw/zinc/12/30/19/468123019.db2.gz MHFBCYZADIEQIF-KBPBESRZSA-N 2 2 334.420 2.243 20 5 EEBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532530735 468123021 /nfs/dbraw/zinc/12/30/21/468123021.db2.gz MHFBCYZADIEQIF-KBPBESRZSA-N 2 2 334.420 2.243 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000533861531 468226627 /nfs/dbraw/zinc/22/66/27/468226627.db2.gz VCHDDWJDTCFEPQ-GFCCVEGCSA-N 2 2 344.371 2.184 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000533861531 468226631 /nfs/dbraw/zinc/22/66/31/468226631.db2.gz VCHDDWJDTCFEPQ-GFCCVEGCSA-N 2 2 344.371 2.184 20 5 EEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611244107 469207231 /nfs/dbraw/zinc/20/72/31/469207231.db2.gz AXGLRTQEFNGFKB-SUMWQHHRSA-N 2 2 346.431 2.070 20 5 EEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611244107 469207235 /nfs/dbraw/zinc/20/72/35/469207235.db2.gz AXGLRTQEFNGFKB-SUMWQHHRSA-N 2 2 346.431 2.070 20 5 EEBDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000181817648 529133118 /nfs/dbraw/zinc/13/31/18/529133118.db2.gz QCLKIATUZHSLPS-CABCVRRESA-N 2 2 348.447 2.106 20 5 EEBDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001168737315 802301247 /nfs/dbraw/zinc/30/12/47/802301247.db2.gz RSWDHTKCZSLNTR-UHFFFAOYSA-N 2 2 331.298 2.208 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272557572 274175500 /nfs/dbraw/zinc/17/55/00/274175500.db2.gz SNGNJTQQYDCDIN-QGZVFWFLSA-N 2 2 341.415 2.269 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272557572 274175502 /nfs/dbraw/zinc/17/55/02/274175502.db2.gz SNGNJTQQYDCDIN-QGZVFWFLSA-N 2 2 341.415 2.269 20 5 EEBDLP CC(C)[NH2+]CCCN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000518959640 316754225 /nfs/dbraw/zinc/75/42/25/316754225.db2.gz CPVCVOIFTJPNKG-INIZCTEOSA-N 2 2 331.420 2.395 20 5 EEBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000255363095 463720456 /nfs/dbraw/zinc/72/04/56/463720456.db2.gz FRJRPOPUVSBQBC-LZCIBIBXSA-N 2 2 344.459 2.320 20 5 EEBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000255363095 463720462 /nfs/dbraw/zinc/72/04/62/463720462.db2.gz FRJRPOPUVSBQBC-LZCIBIBXSA-N 2 2 344.459 2.320 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368484372 466647131 /nfs/dbraw/zinc/64/71/31/466647131.db2.gz SKCOFWQPHXAJQZ-KBRIMQKVSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368484372 466647135 /nfs/dbraw/zinc/64/71/35/466647135.db2.gz SKCOFWQPHXAJQZ-KBRIMQKVSA-N 2 2 337.395 2.417 20 5 EEBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000415116126 467493830 /nfs/dbraw/zinc/49/38/30/467493830.db2.gz VSYJWJGFMKGKQF-INIZCTEOSA-N 2 2 331.372 2.404 20 5 EEBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000415116126 467493834 /nfs/dbraw/zinc/49/38/34/467493834.db2.gz VSYJWJGFMKGKQF-INIZCTEOSA-N 2 2 331.372 2.404 20 5 EEBDLP CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448962219 467608591 /nfs/dbraw/zinc/60/85/91/467608591.db2.gz PWHKYENDTIOXDZ-UHFFFAOYSA-N 2 2 345.403 2.242 20 5 EEBDLP CCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448962219 467608592 /nfs/dbraw/zinc/60/85/92/467608592.db2.gz PWHKYENDTIOXDZ-UHFFFAOYSA-N 2 2 345.403 2.242 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471316 468705385 /nfs/dbraw/zinc/70/53/85/468705385.db2.gz UMYNDJVFBFMZRQ-UHFFFAOYSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471316 468705391 /nfs/dbraw/zinc/70/53/91/468705391.db2.gz UMYNDJVFBFMZRQ-UHFFFAOYSA-N 2 2 332.404 2.058 20 5 EEBDLP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[N@@H+]1C1CC1 ZINC000602568232 469363630 /nfs/dbraw/zinc/36/36/30/469363630.db2.gz KAAFKHWMUMEEFJ-HIFRSBDPSA-N 2 2 345.447 2.173 20 5 EEBDLP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[N@H+]1C1CC1 ZINC000602568232 469363634 /nfs/dbraw/zinc/36/36/34/469363634.db2.gz KAAFKHWMUMEEFJ-HIFRSBDPSA-N 2 2 345.447 2.173 20 5 EEBDLP Cc1nn(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749957623 577984735 /nfs/dbraw/zinc/98/47/35/577984735.db2.gz ZFVLUDPQGXRQAF-CYBMUJFWSA-N 2 2 341.375 2.139 20 5 EEBDLP Cc1nn(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749957623 577984736 /nfs/dbraw/zinc/98/47/36/577984736.db2.gz ZFVLUDPQGXRQAF-CYBMUJFWSA-N 2 2 341.375 2.139 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902489528 1237704297 /nfs/dbraw/zinc/70/42/97/1237704297.db2.gz QVQKDDOONDJTTE-UKRRQHHQSA-N 2 2 334.420 2.434 20 5 EEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001254545964 1318117277 /nfs/dbraw/zinc/11/72/77/1318117277.db2.gz DTXZTRCAULVBCY-HOCLYGCPSA-N 2 2 333.432 2.369 20 5 EEBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001254545964 1318117286 /nfs/dbraw/zinc/11/72/86/1318117286.db2.gz DTXZTRCAULVBCY-HOCLYGCPSA-N 2 2 333.432 2.369 20 5 EEBDLP C[C@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000447813710 242319112 /nfs/dbraw/zinc/31/91/12/242319112.db2.gz XELNHXFREZRNCO-GOEBONIOSA-N 2 2 348.447 2.322 20 5 EEBDLP C[C@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000447813710 242319115 /nfs/dbraw/zinc/31/91/15/242319115.db2.gz XELNHXFREZRNCO-GOEBONIOSA-N 2 2 348.447 2.322 20 5 EEBDLP COCc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267229300 256040281 /nfs/dbraw/zinc/04/02/81/256040281.db2.gz VFHIQRUNPUSSPH-UHFFFAOYSA-N 2 2 336.436 2.179 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000075777477 159076946 /nfs/dbraw/zinc/07/69/46/159076946.db2.gz VTKPOTWVUVBUKR-IBGZPJMESA-N 2 2 341.411 2.104 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000075777477 159076947 /nfs/dbraw/zinc/07/69/47/159076947.db2.gz VTKPOTWVUVBUKR-IBGZPJMESA-N 2 2 341.411 2.104 20 5 EEBDLP CC(C)[NH2+]CCCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000578004894 320288186 /nfs/dbraw/zinc/28/81/86/320288186.db2.gz HGAWKGLVHXSQTA-INIZCTEOSA-N 2 2 331.420 2.395 20 5 EEBDLP Cn1cc(C[N@H+](C)CCC[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000581039961 324172536 /nfs/dbraw/zinc/17/25/36/324172536.db2.gz YPSPVRFGCLRBCE-UHFFFAOYSA-N 2 2 331.420 2.379 20 5 EEBDLP Cn1cc(C[N@@H+](C)CCC[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000581039961 324172539 /nfs/dbraw/zinc/17/25/39/324172539.db2.gz YPSPVRFGCLRBCE-UHFFFAOYSA-N 2 2 331.420 2.379 20 5 EEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000047671893 462812450 /nfs/dbraw/zinc/81/24/50/462812450.db2.gz YZNKOZADAZXFQC-UHFFFAOYSA-N 2 2 349.435 2.085 20 5 EEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000047671893 462812453 /nfs/dbraw/zinc/81/24/53/462812453.db2.gz YZNKOZADAZXFQC-UHFFFAOYSA-N 2 2 349.435 2.085 20 5 EEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000124371767 463415112 /nfs/dbraw/zinc/41/51/12/463415112.db2.gz YIVCSZMTCAXALD-UHFFFAOYSA-N 2 2 342.359 2.363 20 5 EEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000124371767 463415115 /nfs/dbraw/zinc/41/51/15/463415115.db2.gz YIVCSZMTCAXALD-UHFFFAOYSA-N 2 2 342.359 2.363 20 5 EEBDLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000173617429 464294676 /nfs/dbraw/zinc/29/46/76/464294676.db2.gz AXMVAHJILGQMEC-CYBMUJFWSA-N 2 2 334.420 2.384 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292842179 464361123 /nfs/dbraw/zinc/36/11/23/464361123.db2.gz BGBXJPCYWWNNHX-KSSFIOAISA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292842179 464361131 /nfs/dbraw/zinc/36/11/31/464361131.db2.gz BGBXJPCYWWNNHX-KSSFIOAISA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292842179 464361133 /nfs/dbraw/zinc/36/11/33/464361133.db2.gz BGBXJPCYWWNNHX-KSSFIOAISA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292842179 464361139 /nfs/dbraw/zinc/36/11/39/464361139.db2.gz BGBXJPCYWWNNHX-KSSFIOAISA-N 2 2 346.431 2.340 20 5 EEBDLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356919774 465628334 /nfs/dbraw/zinc/62/83/34/465628334.db2.gz ODAWLLGHZVZJLF-OAHLLOKOSA-N 2 2 341.415 2.322 20 5 EEBDLP Cn1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000356919774 465628344 /nfs/dbraw/zinc/62/83/44/465628344.db2.gz ODAWLLGHZVZJLF-OAHLLOKOSA-N 2 2 341.415 2.322 20 5 EEBDLP Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420245308 467329069 /nfs/dbraw/zinc/32/90/69/467329069.db2.gz ZSAFCUMZFCDFLG-ZIAGYGMSSA-N 2 2 327.388 2.464 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471221 468705903 /nfs/dbraw/zinc/70/59/03/468705903.db2.gz MSSNBWIZIRGBAW-UHFFFAOYSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471221 468705905 /nfs/dbraw/zinc/70/59/05/468705905.db2.gz MSSNBWIZIRGBAW-UHFFFAOYSA-N 2 2 332.404 2.058 20 5 EEBDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595094092 468757405 /nfs/dbraw/zinc/75/74/05/468757405.db2.gz CHYSKKVVHKJWEC-UKRRQHHQSA-N 2 2 334.420 2.386 20 5 EEBDLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000595094092 468757411 /nfs/dbraw/zinc/75/74/11/468757411.db2.gz CHYSKKVVHKJWEC-UKRRQHHQSA-N 2 2 334.420 2.386 20 5 EEBDLP O=[N+]([O-])c1sc(C[NH2+]CCn2cc[nH+]c2)cc1Br ZINC000602503859 469341188 /nfs/dbraw/zinc/34/11/88/469341188.db2.gz NHFJUCRKEPHONW-UHFFFAOYSA-N 2 2 331.195 2.405 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258027 469908015 /nfs/dbraw/zinc/90/80/15/469908015.db2.gz ISHRRIMVARUOJT-CQSZACIVSA-N 2 2 343.387 2.375 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258027 469908019 /nfs/dbraw/zinc/90/80/19/469908019.db2.gz ISHRRIMVARUOJT-CQSZACIVSA-N 2 2 343.387 2.375 20 5 EEBDLP Cc1cc(NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC001579624229 1344400435 /nfs/dbraw/zinc/40/04/35/1344400435.db2.gz QYMWYRNGABVNNZ-KRWDZBQOSA-N 2 2 339.355 2.364 20 5 EEBDLP Cc1cc(Cl)c([N+](=O)[O-])c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001156181495 803311486 /nfs/dbraw/zinc/31/14/86/803311486.db2.gz DJKMCYQNVKRODB-UHFFFAOYSA-N 2 2 341.843 2.390 20 5 EEBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423087507 240359938 /nfs/dbraw/zinc/35/99/38/240359938.db2.gz OIFNCSDQKOEBLW-GWCFXTLKSA-N 2 2 347.337 2.470 20 5 EEBDLP Cn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427102185 241375988 /nfs/dbraw/zinc/37/59/88/241375988.db2.gz FJBWWXPJZFPXPO-PBHICJAKSA-N 2 2 341.415 2.179 20 5 EEBDLP Cn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427102185 241375994 /nfs/dbraw/zinc/37/59/94/241375994.db2.gz FJBWWXPJZFPXPO-PBHICJAKSA-N 2 2 341.415 2.179 20 5 EEBDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000292940635 293083649 /nfs/dbraw/zinc/08/36/49/293083649.db2.gz JUJJRLSQJMIYJW-SFHVURJKSA-N 2 2 347.415 2.379 20 5 EEBDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000292940635 293083651 /nfs/dbraw/zinc/08/36/51/293083651.db2.gz JUJJRLSQJMIYJW-SFHVURJKSA-N 2 2 347.415 2.379 20 5 EEBDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000292940635 293083654 /nfs/dbraw/zinc/08/36/54/293083654.db2.gz JUJJRLSQJMIYJW-SFHVURJKSA-N 2 2 347.415 2.379 20 5 EEBDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000292940635 293083657 /nfs/dbraw/zinc/08/36/57/293083657.db2.gz JUJJRLSQJMIYJW-SFHVURJKSA-N 2 2 347.415 2.379 20 5 EEBDLP CC(C)[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353497577 465932160 /nfs/dbraw/zinc/93/21/60/465932160.db2.gz PNAGFXQBLLYHQU-MRXNPFEDSA-N 2 2 331.420 2.348 20 5 EEBDLP CC(C)[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353497577 465932162 /nfs/dbraw/zinc/93/21/62/465932162.db2.gz PNAGFXQBLLYHQU-MRXNPFEDSA-N 2 2 331.420 2.348 20 5 EEBDLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000591685117 468502228 /nfs/dbraw/zinc/50/22/28/468502228.db2.gz QZTHFODWZNRCMT-TZMCWYRMSA-N 2 2 343.387 2.028 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000373779305 466918184 /nfs/dbraw/zinc/91/81/84/466918184.db2.gz XSTNLMUTBARGHI-UWWQBHOKSA-N 2 2 349.431 2.287 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000373779305 466918187 /nfs/dbraw/zinc/91/81/87/466918187.db2.gz XSTNLMUTBARGHI-UWWQBHOKSA-N 2 2 349.431 2.287 20 5 EEBDLP C[NH+](C)CCO[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413200960 467188706 /nfs/dbraw/zinc/18/87/06/467188706.db2.gz VQXYHSYJYSVPFW-HNNXBMFYSA-N 2 2 330.388 2.300 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000601126535 468753527 /nfs/dbraw/zinc/75/35/27/468753527.db2.gz SRNVXJQVEUHHCQ-CQSZACIVSA-N 2 2 342.399 2.302 20 5 EEBDLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601165392 468766990 /nfs/dbraw/zinc/76/69/90/468766990.db2.gz NTFCOSPSOZYRQK-DZGCQCFKSA-N 2 2 342.399 2.442 20 5 EEBDLP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000573795817 469207199 /nfs/dbraw/zinc/20/71/99/469207199.db2.gz XUJYZDIHQWGTFY-OLZOCXBDSA-N 2 2 332.404 2.138 20 5 EEBDLP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000573795817 469207206 /nfs/dbraw/zinc/20/72/06/469207206.db2.gz XUJYZDIHQWGTFY-OLZOCXBDSA-N 2 2 332.404 2.138 20 5 EEBDLP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000776590529 577463660 /nfs/dbraw/zinc/46/36/60/577463660.db2.gz HEFKPHSKALLHOK-KBRIMQKVSA-N 2 2 330.388 2.408 20 5 EEBDLP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000776590529 577463661 /nfs/dbraw/zinc/46/36/61/577463661.db2.gz HEFKPHSKALLHOK-KBRIMQKVSA-N 2 2 330.388 2.408 20 5 EEBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902488918 1237702153 /nfs/dbraw/zinc/70/21/53/1237702153.db2.gz OKSROQCWILGMCP-DZGCQCFKSA-N 2 2 334.420 2.434 20 5 EEBDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846765184 790519155 /nfs/dbraw/zinc/51/91/55/790519155.db2.gz ZFRSMJBURSVVAI-UHFFFAOYSA-N 2 2 329.404 2.083 20 5 EEBDLP COc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000173787126 231033076 /nfs/dbraw/zinc/03/30/76/231033076.db2.gz FJFMHWVSBUVGNA-OAHLLOKOSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000173787126 231033078 /nfs/dbraw/zinc/03/30/78/231033078.db2.gz FJFMHWVSBUVGNA-OAHLLOKOSA-N 2 2 349.431 2.400 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422632202 240166038 /nfs/dbraw/zinc/16/60/38/240166038.db2.gz GJVKGSANNNUHQF-MCIONIFRSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422632202 240166042 /nfs/dbraw/zinc/16/60/42/240166042.db2.gz GJVKGSANNNUHQF-MCIONIFRSA-N 2 2 334.420 2.147 20 5 EEBDLP [NH3+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCCC1 ZINC000159460382 206247366 /nfs/dbraw/zinc/24/73/66/206247366.db2.gz UQMQFXGPCSRHJL-UHFFFAOYSA-N 2 2 343.387 2.172 20 5 EEBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000270511637 256142753 /nfs/dbraw/zinc/14/27/53/256142753.db2.gz JVBPQGPNCZDWMA-UHFFFAOYSA-N 2 2 335.795 2.304 20 5 EEBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000125225594 292294864 /nfs/dbraw/zinc/29/48/64/292294864.db2.gz NNFOSUVSDQSINR-HNNXBMFYSA-N 2 2 333.436 2.352 20 5 EEBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000125225594 292294865 /nfs/dbraw/zinc/29/48/65/292294865.db2.gz NNFOSUVSDQSINR-HNNXBMFYSA-N 2 2 333.436 2.352 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247328143 160320922 /nfs/dbraw/zinc/32/09/22/160320922.db2.gz WSHKYJMGWAPUTH-FMKPAKJESA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247328143 160320923 /nfs/dbraw/zinc/32/09/23/160320923.db2.gz WSHKYJMGWAPUTH-FMKPAKJESA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247328143 160320925 /nfs/dbraw/zinc/32/09/25/160320925.db2.gz WSHKYJMGWAPUTH-FMKPAKJESA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247328143 160320927 /nfs/dbraw/zinc/32/09/27/160320927.db2.gz WSHKYJMGWAPUTH-FMKPAKJESA-N 2 2 346.431 2.338 20 5 EEBDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289409428 275114242 /nfs/dbraw/zinc/11/42/42/275114242.db2.gz HQRVQMWZTJUSKB-UHFFFAOYSA-N 2 2 325.409 2.386 20 5 EEBDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000289409428 275114243 /nfs/dbraw/zinc/11/42/43/275114243.db2.gz HQRVQMWZTJUSKB-UHFFFAOYSA-N 2 2 325.409 2.386 20 5 EEBDLP CCOc1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000577742064 320273184 /nfs/dbraw/zinc/27/31/84/320273184.db2.gz VBBYNSMJFNJFRC-UHFFFAOYSA-N 2 2 331.376 2.039 20 5 EEBDLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237086975 464262162 /nfs/dbraw/zinc/26/21/62/464262162.db2.gz IFULCCYWOMPPDI-INIZCTEOSA-N 2 2 329.404 2.179 20 5 EEBDLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237086975 464262166 /nfs/dbraw/zinc/26/21/66/464262166.db2.gz IFULCCYWOMPPDI-INIZCTEOSA-N 2 2 329.404 2.179 20 5 EEBDLP C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371303295 465701486 /nfs/dbraw/zinc/70/14/86/465701486.db2.gz NYXIGXYYRKUUAI-YJBOKZPZSA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371303295 465701492 /nfs/dbraw/zinc/70/14/92/465701492.db2.gz NYXIGXYYRKUUAI-YJBOKZPZSA-N 2 2 332.448 2.053 20 5 EEBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000424277365 467020121 /nfs/dbraw/zinc/02/01/21/467020121.db2.gz AGEOUIZKXZVFQL-GHMZBOCLSA-N 2 2 326.784 2.046 20 5 EEBDLP CCc1cc(NC[C@@H](C)C[NH2+]C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420196385 467319795 /nfs/dbraw/zinc/31/97/95/467319795.db2.gz KXYMORISVRZWAT-LBPRGKRZSA-N 2 2 329.404 2.304 20 5 EEBDLP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420258780 467332169 /nfs/dbraw/zinc/33/21/69/467332169.db2.gz LOQBGFMKLHKSBL-HUUCEWRRSA-N 2 2 339.399 2.406 20 5 EEBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449062225 467616041 /nfs/dbraw/zinc/61/60/41/467616041.db2.gz YCIVQCLONJWNRP-WBVHZDCISA-N 2 2 335.448 2.472 20 5 EEBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449062225 467616043 /nfs/dbraw/zinc/61/60/43/467616043.db2.gz YCIVQCLONJWNRP-WBVHZDCISA-N 2 2 335.448 2.472 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000514869520 467960119 /nfs/dbraw/zinc/96/01/19/467960119.db2.gz ATBJUSIYUDXBPL-ZDUSSCGKSA-N 2 2 343.387 2.146 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000514869520 467960122 /nfs/dbraw/zinc/96/01/22/467960122.db2.gz ATBJUSIYUDXBPL-ZDUSSCGKSA-N 2 2 343.387 2.146 20 5 EEBDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521864 468887714 /nfs/dbraw/zinc/88/77/14/468887714.db2.gz FXDSCXQLLXMSFW-SJLPKXTDSA-N 2 2 335.448 2.475 20 5 EEBDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521864 468887719 /nfs/dbraw/zinc/88/77/19/468887719.db2.gz FXDSCXQLLXMSFW-SJLPKXTDSA-N 2 2 335.448 2.475 20 5 EEBDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521864 468887725 /nfs/dbraw/zinc/88/77/25/468887725.db2.gz FXDSCXQLLXMSFW-SJLPKXTDSA-N 2 2 335.448 2.475 20 5 EEBDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521864 468887728 /nfs/dbraw/zinc/88/77/28/468887728.db2.gz FXDSCXQLLXMSFW-SJLPKXTDSA-N 2 2 335.448 2.475 20 5 EEBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@@H]21 ZINC000611286352 469220341 /nfs/dbraw/zinc/22/03/41/469220341.db2.gz QTKHDGSPAZUAGM-HIFRSBDPSA-N 2 2 347.415 2.282 20 5 EEBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@@H]21 ZINC000611286352 469220343 /nfs/dbraw/zinc/22/03/43/469220343.db2.gz QTKHDGSPAZUAGM-HIFRSBDPSA-N 2 2 347.415 2.282 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@@H]21 ZINC000611286352 469220345 /nfs/dbraw/zinc/22/03/45/469220345.db2.gz QTKHDGSPAZUAGM-HIFRSBDPSA-N 2 2 347.415 2.282 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@@H]21 ZINC000611286352 469220346 /nfs/dbraw/zinc/22/03/46/469220346.db2.gz QTKHDGSPAZUAGM-HIFRSBDPSA-N 2 2 347.415 2.282 20 5 EEBDLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000776276151 577456417 /nfs/dbraw/zinc/45/64/17/577456417.db2.gz HEKORJMXTOPUBC-QGZVFWFLSA-N 2 2 342.399 2.154 20 5 EEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346146 1315894768 /nfs/dbraw/zinc/89/47/68/1315894768.db2.gz MGDNOHFKXATMNK-ABAIWWIYSA-N 2 2 338.383 2.264 20 5 EEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346146 1315894772 /nfs/dbraw/zinc/89/47/72/1315894772.db2.gz MGDNOHFKXATMNK-ABAIWWIYSA-N 2 2 338.383 2.264 20 5 EEBDLP [NH3+]C1CC[NH+](CCNc2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001161867325 1320653673 /nfs/dbraw/zinc/65/36/73/1320653673.db2.gz PBQYKOJJFGMAND-UHFFFAOYSA-N 2 2 334.207 2.132 20 5 EEBDLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913445 797171976 /nfs/dbraw/zinc/17/19/76/797171976.db2.gz VWUODQZPCURRAG-SFHVURJKSA-N 3 2 348.491 2.445 20 5 EEBDLP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913445 797171978 /nfs/dbraw/zinc/17/19/78/797171978.db2.gz VWUODQZPCURRAG-SFHVURJKSA-N 3 2 348.491 2.445 20 5 EEBDLP CCOc1cc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000339426958 465263441 /nfs/dbraw/zinc/26/34/41/465263441.db2.gz DJTWDYBVSSPSPH-HNNXBMFYSA-N 2 2 348.447 2.115 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140032355 463336888 /nfs/dbraw/zinc/33/68/88/463336888.db2.gz XGCITRUAKORYSF-CKEIUWERSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140032355 463336894 /nfs/dbraw/zinc/33/68/94/463336894.db2.gz XGCITRUAKORYSF-CKEIUWERSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140032355 463336898 /nfs/dbraw/zinc/33/68/98/463336898.db2.gz XGCITRUAKORYSF-CKEIUWERSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000140032355 463336901 /nfs/dbraw/zinc/33/69/01/463336901.db2.gz XGCITRUAKORYSF-CKEIUWERSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000361346050 465925924 /nfs/dbraw/zinc/92/59/24/465925924.db2.gz LZYHOXCEJJZHKO-CQSZACIVSA-N 2 2 348.447 2.188 20 5 EEBDLP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420294875 467341852 /nfs/dbraw/zinc/34/18/52/467341852.db2.gz OTXXGCJFUBVEFE-SNVBAGLBSA-N 2 2 340.811 2.246 20 5 EEBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420370985 467381846 /nfs/dbraw/zinc/38/18/46/467381846.db2.gz WMOKHYOQDWALBP-ZDUSSCGKSA-N 2 2 340.811 2.164 20 5 EEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430574997 467444012 /nfs/dbraw/zinc/44/40/12/467444012.db2.gz UIOYGDCLKOZNDD-DGCLKSJQSA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430574997 467444019 /nfs/dbraw/zinc/44/40/19/467444019.db2.gz UIOYGDCLKOZNDD-DGCLKSJQSA-N 2 2 331.376 2.204 20 5 EEBDLP CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435627716 467483465 /nfs/dbraw/zinc/48/34/65/467483465.db2.gz OGEWACVNDFAQRZ-CQSZACIVSA-N 2 2 334.420 2.306 20 5 EEBDLP CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435627716 467483468 /nfs/dbraw/zinc/48/34/68/467483468.db2.gz OGEWACVNDFAQRZ-CQSZACIVSA-N 2 2 334.420 2.306 20 5 EEBDLP COc1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000595506192 468880405 /nfs/dbraw/zinc/88/04/05/468880405.db2.gz BDSMGMVZDQENAW-SFHVURJKSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000595506192 468880408 /nfs/dbraw/zinc/88/04/08/468880408.db2.gz BDSMGMVZDQENAW-SFHVURJKSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000595506192 468880411 /nfs/dbraw/zinc/88/04/11/468880411.db2.gz BDSMGMVZDQENAW-SFHVURJKSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000595506192 468880415 /nfs/dbraw/zinc/88/04/15/468880415.db2.gz BDSMGMVZDQENAW-SFHVURJKSA-N 2 2 349.431 2.400 20 5 EEBDLP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000573795819 469207147 /nfs/dbraw/zinc/20/71/47/469207147.db2.gz XUJYZDIHQWGTFY-STQMWFEESA-N 2 2 332.404 2.138 20 5 EEBDLP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000573795819 469207153 /nfs/dbraw/zinc/20/71/53/469207153.db2.gz XUJYZDIHQWGTFY-STQMWFEESA-N 2 2 332.404 2.138 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157339 469897728 /nfs/dbraw/zinc/89/77/28/469897728.db2.gz DTLTWQNAIOPCJG-KGLIPLIRSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157339 469897732 /nfs/dbraw/zinc/89/77/32/469897732.db2.gz DTLTWQNAIOPCJG-KGLIPLIRSA-N 2 2 343.387 2.455 20 5 EEBDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074396 577986684 /nfs/dbraw/zinc/98/66/84/577986684.db2.gz YFTNBGPJXKHZFK-MAUKXSAKSA-N 2 2 333.432 2.292 20 5 EEBDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074396 577986685 /nfs/dbraw/zinc/98/66/85/577986685.db2.gz YFTNBGPJXKHZFK-MAUKXSAKSA-N 2 2 333.432 2.292 20 5 EEBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074396 577986686 /nfs/dbraw/zinc/98/66/86/577986686.db2.gz YFTNBGPJXKHZFK-MAUKXSAKSA-N 2 2 333.432 2.292 20 5 EEBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074396 577986687 /nfs/dbraw/zinc/98/66/87/577986687.db2.gz YFTNBGPJXKHZFK-MAUKXSAKSA-N 2 2 333.432 2.292 20 5 EEBDLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000903529539 1240814675 /nfs/dbraw/zinc/81/46/75/1240814675.db2.gz IZUMNWDZSFAKNG-HNNXBMFYSA-N 2 2 334.420 2.306 20 5 EEBDLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000903529539 1240814680 /nfs/dbraw/zinc/81/46/80/1240814680.db2.gz IZUMNWDZSFAKNG-HNNXBMFYSA-N 2 2 334.420 2.306 20 5 EEBDLP COc1cc(N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)cc[nH+]1 ZINC001169054994 803597102 /nfs/dbraw/zinc/59/71/02/803597102.db2.gz OXRYBAXEQOQZAS-HIFRSBDPSA-N 2 2 334.420 2.094 20 5 EEBDLP C[N@H+]1CC=C(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447817099 242322336 /nfs/dbraw/zinc/32/23/36/242322336.db2.gz OMZWHSUCWAAVSH-UHFFFAOYSA-N 2 2 346.431 2.101 20 5 EEBDLP C[N@@H+]1CC=C(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447817099 242322340 /nfs/dbraw/zinc/32/23/40/242322340.db2.gz OMZWHSUCWAAVSH-UHFFFAOYSA-N 2 2 346.431 2.101 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000423367643 303003910 /nfs/dbraw/zinc/00/39/10/303003910.db2.gz YQQYLEBUPJFEMW-GDBMZVCRSA-N 2 2 329.404 2.149 20 5 EEBDLP O=C(CC[NH2+]CCCNc1cccc[nH+]1)Nc1ccccc1[N+](=O)[O-] ZINC000564854580 319118792 /nfs/dbraw/zinc/11/87/92/319118792.db2.gz NRDMUNAWZMAVKB-UHFFFAOYSA-N 2 2 343.387 2.410 20 5 EEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339054716 465055036 /nfs/dbraw/zinc/05/50/36/465055036.db2.gz CJTZGBWABWOVTP-CYBMUJFWSA-N 2 2 330.388 2.489 20 5 EEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339054716 465055043 /nfs/dbraw/zinc/05/50/43/465055043.db2.gz CJTZGBWABWOVTP-CYBMUJFWSA-N 2 2 330.388 2.489 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000568832066 468391057 /nfs/dbraw/zinc/39/10/57/468391057.db2.gz ACPHYHUUVZQEPX-GOEBONIOSA-N 2 2 346.431 2.400 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000568832066 468391058 /nfs/dbraw/zinc/39/10/58/468391058.db2.gz ACPHYHUUVZQEPX-GOEBONIOSA-N 2 2 346.431 2.400 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000568832066 468391060 /nfs/dbraw/zinc/39/10/60/468391060.db2.gz ACPHYHUUVZQEPX-GOEBONIOSA-N 2 2 346.431 2.400 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000568832066 468391062 /nfs/dbraw/zinc/39/10/62/468391062.db2.gz ACPHYHUUVZQEPX-GOEBONIOSA-N 2 2 346.431 2.400 20 5 EEBDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000363354117 466363637 /nfs/dbraw/zinc/36/36/37/466363637.db2.gz XQQYARFBKCPXRB-CQSZACIVSA-N 2 2 330.392 2.071 20 5 EEBDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000363354117 466363639 /nfs/dbraw/zinc/36/36/39/466363639.db2.gz XQQYARFBKCPXRB-CQSZACIVSA-N 2 2 330.392 2.071 20 5 EEBDLP CC(=O)c1ccc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000369267209 466723160 /nfs/dbraw/zinc/72/31/60/466723160.db2.gz OJDSTUOHXILVDO-HNNXBMFYSA-N 2 2 346.431 2.378 20 5 EEBDLP CC(=O)c1ccc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000369267209 466723165 /nfs/dbraw/zinc/72/31/65/466723165.db2.gz OJDSTUOHXILVDO-HNNXBMFYSA-N 2 2 346.431 2.378 20 5 EEBDLP C[C@@H]1C[NH+](CCCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000413037196 467158942 /nfs/dbraw/zinc/15/89/42/467158942.db2.gz FNSUBNILCUXJHV-ZIAGYGMSSA-N 2 2 344.415 3.054 20 5 EEBDLP CN(C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000420378525 467385473 /nfs/dbraw/zinc/38/54/73/467385473.db2.gz XEEKWRAZGBJQEC-INIZCTEOSA-N 2 2 334.420 2.055 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420408124 467397878 /nfs/dbraw/zinc/39/78/78/467397878.db2.gz OYRIITHTPDYWSY-UBHSHLNASA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420408124 467397881 /nfs/dbraw/zinc/39/78/81/467397881.db2.gz OYRIITHTPDYWSY-UBHSHLNASA-N 2 2 334.420 2.147 20 5 EEBDLP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430616680 467450811 /nfs/dbraw/zinc/45/08/11/467450811.db2.gz GWNWYFITQYZCSD-SNVBAGLBSA-N 2 2 345.346 2.376 20 5 EEBDLP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430616680 467450816 /nfs/dbraw/zinc/45/08/16/467450816.db2.gz GWNWYFITQYZCSD-SNVBAGLBSA-N 2 2 345.346 2.376 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382968 467465333 /nfs/dbraw/zinc/46/53/33/467465333.db2.gz FZTUWUHLUUQRSR-SNVBAGLBSA-N 2 2 345.346 2.028 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382968 467465338 /nfs/dbraw/zinc/46/53/38/467465338.db2.gz FZTUWUHLUUQRSR-SNVBAGLBSA-N 2 2 345.346 2.028 20 5 EEBDLP CC[N@H+](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602529035 469350539 /nfs/dbraw/zinc/35/05/39/469350539.db2.gz SHWVTRXOMFWLLJ-UHFFFAOYSA-N 2 2 333.436 2.033 20 5 EEBDLP CC[N@@H+](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602529035 469350543 /nfs/dbraw/zinc/35/05/43/469350543.db2.gz SHWVTRXOMFWLLJ-UHFFFAOYSA-N 2 2 333.436 2.033 20 5 EEBDLP O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000564722068 490634437 /nfs/dbraw/zinc/63/44/37/490634437.db2.gz NBOVPHHBGYJBAY-CQSZACIVSA-N 2 2 343.387 2.043 20 5 EEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000180936251 682121161 /nfs/dbraw/zinc/12/11/61/682121161.db2.gz ZDMGZUUVFLVHTE-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000180936251 682121164 /nfs/dbraw/zinc/12/11/64/682121164.db2.gz ZDMGZUUVFLVHTE-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP COCC[N@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH+](C)CC1 ZINC001254598050 1318139255 /nfs/dbraw/zinc/13/92/55/1318139255.db2.gz GXZYTQROCCJIJF-SFHVURJKSA-N 2 2 333.432 2.105 20 5 EEBDLP COCC[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH+](C)CC1 ZINC001254598050 1318139260 /nfs/dbraw/zinc/13/92/60/1318139260.db2.gz GXZYTQROCCJIJF-SFHVURJKSA-N 2 2 333.432 2.105 20 5 EEBDLP CC(C)C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001335350005 1336365929 /nfs/dbraw/zinc/36/59/29/1336365929.db2.gz AKOSWICKWWFBBZ-AWEZNQCLSA-N 2 2 336.436 2.489 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422636667 240168356 /nfs/dbraw/zinc/16/83/56/240168356.db2.gz NJSYPBYNYQYXJA-IHRRRGAJSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422636667 240168363 /nfs/dbraw/zinc/16/83/63/240168363.db2.gz NJSYPBYNYQYXJA-IHRRRGAJSA-N 2 2 334.420 2.147 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NCC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353671166 289059770 /nfs/dbraw/zinc/05/97/70/289059770.db2.gz NDKPNKHHOITECQ-MRXNPFEDSA-N 2 2 343.431 2.492 20 5 EEBDLP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448879312 315396169 /nfs/dbraw/zinc/39/61/69/315396169.db2.gz ZJHUQWIGEUOUKY-ZDUSSCGKSA-N 2 2 345.403 2.241 20 5 EEBDLP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448879312 315396172 /nfs/dbraw/zinc/39/61/72/315396172.db2.gz ZJHUQWIGEUOUKY-ZDUSSCGKSA-N 2 2 345.403 2.241 20 5 EEBDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576574478 320184061 /nfs/dbraw/zinc/18/40/61/320184061.db2.gz OZQDQISWIICNSR-OAHLLOKOSA-N 2 2 333.432 2.322 20 5 EEBDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576574478 320184064 /nfs/dbraw/zinc/18/40/64/320184064.db2.gz OZQDQISWIICNSR-OAHLLOKOSA-N 2 2 333.432 2.322 20 5 EEBDLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000112921620 462554324 /nfs/dbraw/zinc/55/43/24/462554324.db2.gz MLEXDAFFAZLIQB-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000112921620 462554327 /nfs/dbraw/zinc/55/43/27/462554327.db2.gz MLEXDAFFAZLIQB-UHFFFAOYSA-N 2 2 348.447 2.001 20 5 EEBDLP NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000157295264 463117525 /nfs/dbraw/zinc/11/75/25/463117525.db2.gz FKWRFHZNCKXBDZ-INIZCTEOSA-N 2 2 346.431 2.144 20 5 EEBDLP NC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000157295264 463117531 /nfs/dbraw/zinc/11/75/31/463117531.db2.gz FKWRFHZNCKXBDZ-INIZCTEOSA-N 2 2 346.431 2.144 20 5 EEBDLP COCCC[N@H+](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268919006 463809254 /nfs/dbraw/zinc/80/92/54/463809254.db2.gz UBJRWQDODFANBJ-QGZVFWFLSA-N 2 2 335.448 2.474 20 5 EEBDLP COCCC[N@@H+](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268919006 463809260 /nfs/dbraw/zinc/80/92/60/463809260.db2.gz UBJRWQDODFANBJ-QGZVFWFLSA-N 2 2 335.448 2.474 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292842174 464360538 /nfs/dbraw/zinc/36/05/38/464360538.db2.gz BGBXJPCYWWNNHX-KBXCAEBGSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292842174 464360545 /nfs/dbraw/zinc/36/05/45/464360545.db2.gz BGBXJPCYWWNNHX-KBXCAEBGSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292842174 464360549 /nfs/dbraw/zinc/36/05/49/464360549.db2.gz BGBXJPCYWWNNHX-KBXCAEBGSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292842174 464360555 /nfs/dbraw/zinc/36/05/55/464360555.db2.gz BGBXJPCYWWNNHX-KBXCAEBGSA-N 2 2 346.431 2.340 20 5 EEBDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271708098 464367179 /nfs/dbraw/zinc/36/71/79/464367179.db2.gz AGJLSEBFQPKIPB-UHFFFAOYSA-N 2 2 335.404 2.102 20 5 EEBDLP C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452115657 467328609 /nfs/dbraw/zinc/32/86/09/467328609.db2.gz KTDIVUBTQJLUQP-UHFFFAOYSA-N 2 2 349.357 2.140 20 5 EEBDLP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452115657 467328612 /nfs/dbraw/zinc/32/86/12/467328612.db2.gz KTDIVUBTQJLUQP-UHFFFAOYSA-N 2 2 349.357 2.140 20 5 EEBDLP C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435618396 467480551 /nfs/dbraw/zinc/48/05/51/467480551.db2.gz SPDNYHYZJRWIAY-CYBMUJFWSA-N 2 2 331.376 2.219 20 5 EEBDLP C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435618396 467480555 /nfs/dbraw/zinc/48/05/55/467480555.db2.gz SPDNYHYZJRWIAY-CYBMUJFWSA-N 2 2 331.376 2.219 20 5 EEBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)s1 ZINC000415095320 467488335 /nfs/dbraw/zinc/48/83/35/467488335.db2.gz LXRCOQPIDBAVQL-LBPRGKRZSA-N 2 2 333.413 2.401 20 5 EEBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594993309 468739997 /nfs/dbraw/zinc/73/99/97/468739997.db2.gz NTBBZSJXBHAZTA-KRWDZBQOSA-N 2 2 349.431 2.336 20 5 EEBDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074395 577986738 /nfs/dbraw/zinc/98/67/38/577986738.db2.gz YFTNBGPJXKHZFK-CRAIPNDOSA-N 2 2 333.432 2.292 20 5 EEBDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074395 577986739 /nfs/dbraw/zinc/98/67/39/577986739.db2.gz YFTNBGPJXKHZFK-CRAIPNDOSA-N 2 2 333.432 2.292 20 5 EEBDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074395 577986740 /nfs/dbraw/zinc/98/67/40/577986740.db2.gz YFTNBGPJXKHZFK-CRAIPNDOSA-N 2 2 333.432 2.292 20 5 EEBDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750074395 577986741 /nfs/dbraw/zinc/98/67/41/577986741.db2.gz YFTNBGPJXKHZFK-CRAIPNDOSA-N 2 2 333.432 2.292 20 5 EEBDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001578275360 1403731617 /nfs/dbraw/zinc/73/16/17/1403731617.db2.gz JWENPFQAFCZDJW-KVULBXGLSA-N 2 2 329.404 2.347 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000923401456 789502516 /nfs/dbraw/zinc/50/25/16/789502516.db2.gz NGLKDDCPNVBXPR-MRVWCRGKSA-N 2 2 347.337 2.087 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000923401456 789502522 /nfs/dbraw/zinc/50/25/22/789502522.db2.gz NGLKDDCPNVBXPR-MRVWCRGKSA-N 2 2 347.337 2.087 20 5 EEBDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022220 803588243 /nfs/dbraw/zinc/58/82/43/803588243.db2.gz QTRMHRQVIZCSEW-HUUCEWRRSA-N 2 2 349.479 2.329 20 5 EEBDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022220 803588246 /nfs/dbraw/zinc/58/82/46/803588246.db2.gz QTRMHRQVIZCSEW-HUUCEWRRSA-N 2 2 349.479 2.329 20 5 EEBDLP CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000236712465 242332004 /nfs/dbraw/zinc/33/20/04/242332004.db2.gz NQYVMLDUTNLDKI-QGZVFWFLSA-N 2 2 345.403 2.274 20 5 EEBDLP C[C@@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000447813712 242319348 /nfs/dbraw/zinc/31/93/48/242319348.db2.gz XELNHXFREZRNCO-ZBFHGGJFSA-N 2 2 348.447 2.322 20 5 EEBDLP C[C@@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000447813712 242319353 /nfs/dbraw/zinc/31/93/53/242319353.db2.gz XELNHXFREZRNCO-ZBFHGGJFSA-N 2 2 348.447 2.322 20 5 EEBDLP Cc1ccnc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000265153717 247253095 /nfs/dbraw/zinc/25/30/95/247253095.db2.gz BVRXZVFXBDRXGI-UHFFFAOYSA-N 2 2 333.436 2.269 20 5 EEBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119573307 292246648 /nfs/dbraw/zinc/24/66/48/292246648.db2.gz UPCNIJNWROWENO-UHFFFAOYSA-N 2 2 340.855 2.318 20 5 EEBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119573307 292246649 /nfs/dbraw/zinc/24/66/49/292246649.db2.gz UPCNIJNWROWENO-UHFFFAOYSA-N 2 2 340.855 2.318 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293109109 293128274 /nfs/dbraw/zinc/12/82/74/293128274.db2.gz YILBICJHNRKTBD-KSSFIOAISA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293109109 293128279 /nfs/dbraw/zinc/12/82/79/293128279.db2.gz YILBICJHNRKTBD-KSSFIOAISA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293109109 293128283 /nfs/dbraw/zinc/12/82/83/293128283.db2.gz YILBICJHNRKTBD-KSSFIOAISA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293109109 293128287 /nfs/dbraw/zinc/12/82/87/293128287.db2.gz YILBICJHNRKTBD-KSSFIOAISA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293109113 293128324 /nfs/dbraw/zinc/12/83/24/293128324.db2.gz YILBICJHNRKTBD-RDTXWAMCSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293109113 293128327 /nfs/dbraw/zinc/12/83/27/293128327.db2.gz YILBICJHNRKTBD-RDTXWAMCSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293109113 293128331 /nfs/dbraw/zinc/12/83/31/293128331.db2.gz YILBICJHNRKTBD-RDTXWAMCSA-N 2 2 346.431 2.340 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293109113 293128333 /nfs/dbraw/zinc/12/83/33/293128333.db2.gz YILBICJHNRKTBD-RDTXWAMCSA-N 2 2 346.431 2.340 20 5 EEBDLP [NH3+][C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261778584 463856142 /nfs/dbraw/zinc/85/61/42/463856142.db2.gz PIHXDXRWJAPGKZ-ZWKOTPCHSA-N 2 2 327.384 2.400 20 5 EEBDLP [NH3+][C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261778584 463856145 /nfs/dbraw/zinc/85/61/45/463856145.db2.gz PIHXDXRWJAPGKZ-ZWKOTPCHSA-N 2 2 327.384 2.400 20 5 EEBDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357059493 465733973 /nfs/dbraw/zinc/73/39/73/465733973.db2.gz XFHQNJPUJZFRAJ-CABCVRRESA-N 2 2 341.415 2.037 20 5 EEBDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357059493 465733977 /nfs/dbraw/zinc/73/39/77/465733977.db2.gz XFHQNJPUJZFRAJ-CABCVRRESA-N 2 2 341.415 2.037 20 5 EEBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000367472741 466364102 /nfs/dbraw/zinc/36/41/02/466364102.db2.gz UREYHTSPRSQEDE-UKTKYZJWSA-N 2 2 344.459 2.320 20 5 EEBDLP C[N@H+]1CCC[C@H](N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000367472741 466364114 /nfs/dbraw/zinc/36/41/14/466364114.db2.gz UREYHTSPRSQEDE-UKTKYZJWSA-N 2 2 344.459 2.320 20 5 EEBDLP C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448600283 467595255 /nfs/dbraw/zinc/59/52/55/467595255.db2.gz FMGPMGMIZBEZIS-UHFFFAOYSA-N 2 2 345.403 2.098 20 5 EEBDLP C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[N@H+](C)C1CC1 ZINC000602544308 469355725 /nfs/dbraw/zinc/35/57/25/469355725.db2.gz OPMIKCSMGXJRFH-ZDUSSCGKSA-N 2 2 333.436 2.031 20 5 EEBDLP C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[N@@H+](C)C1CC1 ZINC000602544308 469355728 /nfs/dbraw/zinc/35/57/28/469355728.db2.gz OPMIKCSMGXJRFH-ZDUSSCGKSA-N 2 2 333.436 2.031 20 5 EEBDLP O=C(OCC[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000858975599 1294280986 /nfs/dbraw/zinc/28/09/86/1294280986.db2.gz MGUGVXIJHSDPDM-UHFFFAOYSA-N 2 2 344.371 2.423 20 5 EEBDLP C[NH+]1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001168737244 802288438 /nfs/dbraw/zinc/28/84/38/802288438.db2.gz RAWMXOVOHIQWJO-UHFFFAOYSA-N 2 2 331.298 2.208 20 5 EEBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000422632001 240167704 /nfs/dbraw/zinc/16/77/04/240167704.db2.gz GEOHEYPWZHQTHQ-MBNYWOFBSA-N 2 2 345.403 2.450 20 5 EEBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C[NH3+] ZINC000422632001 240167707 /nfs/dbraw/zinc/16/77/07/240167707.db2.gz GEOHEYPWZHQTHQ-MBNYWOFBSA-N 2 2 345.403 2.450 20 5 EEBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000075777483 159076917 /nfs/dbraw/zinc/07/69/17/159076917.db2.gz MVXHKCALXJYLKC-LJQANCHMSA-N 2 2 341.411 2.104 20 5 EEBDLP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000075777483 159076919 /nfs/dbraw/zinc/07/69/19/159076919.db2.gz MVXHKCALXJYLKC-LJQANCHMSA-N 2 2 341.411 2.104 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000370062746 166387058 /nfs/dbraw/zinc/38/70/58/166387058.db2.gz LXYDEWWNNXILKI-CYBMUJFWSA-N 2 2 343.387 2.146 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000370062746 166387061 /nfs/dbraw/zinc/38/70/61/166387061.db2.gz LXYDEWWNNXILKI-CYBMUJFWSA-N 2 2 343.387 2.146 20 5 EEBDLP CC(C)c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000352714199 278036075 /nfs/dbraw/zinc/03/60/75/278036075.db2.gz AVWUVPJSYZYRQF-INIZCTEOSA-N 2 2 332.448 2.198 20 5 EEBDLP C[NH2+]CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000435884597 314929742 /nfs/dbraw/zinc/92/97/42/314929742.db2.gz UVJQFWZDELMHJL-UHFFFAOYSA-N 2 2 346.353 2.345 20 5 EEBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565339904 319173264 /nfs/dbraw/zinc/17/32/64/319173264.db2.gz JZWGGNRGFGIPOK-UHFFFAOYSA-N 2 2 345.403 2.427 20 5 EEBDLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000582735204 324518132 /nfs/dbraw/zinc/51/81/32/324518132.db2.gz DMXYJKJWTCVFNF-YOEHRIQHSA-N 2 2 333.432 2.265 20 5 EEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000131214321 462798986 /nfs/dbraw/zinc/79/89/86/462798986.db2.gz GBDUSUFFBYCNEE-PBHICJAKSA-N 2 2 344.415 2.316 20 5 EEBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000131214321 462798993 /nfs/dbraw/zinc/79/89/93/462798993.db2.gz GBDUSUFFBYCNEE-PBHICJAKSA-N 2 2 344.415 2.316 20 5 EEBDLP C[N@@H+]1CCC[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000568471945 468340640 /nfs/dbraw/zinc/34/06/40/468340640.db2.gz DZMBJRDMGLWUKG-INIZCTEOSA-N 2 2 348.447 2.181 20 5 EEBDLP C[N@H+]1CCC[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000568471945 468340644 /nfs/dbraw/zinc/34/06/44/468340644.db2.gz DZMBJRDMGLWUKG-INIZCTEOSA-N 2 2 348.447 2.181 20 5 EEBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000124436032 463422486 /nfs/dbraw/zinc/42/24/86/463422486.db2.gz RTOWYJCIYFEPOZ-UHFFFAOYSA-N 2 2 342.359 2.363 20 5 EEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000124436032 463422491 /nfs/dbraw/zinc/42/24/91/463422491.db2.gz RTOWYJCIYFEPOZ-UHFFFAOYSA-N 2 2 342.359 2.363 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266915599 464869516 /nfs/dbraw/zinc/86/95/16/464869516.db2.gz KDYMGBMILVCZFL-ZDUSSCGKSA-N 2 2 343.387 2.444 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266915599 464869522 /nfs/dbraw/zinc/86/95/22/464869522.db2.gz KDYMGBMILVCZFL-ZDUSSCGKSA-N 2 2 343.387 2.444 20 5 EEBDLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000266920096 464872244 /nfs/dbraw/zinc/87/22/44/464872244.db2.gz LUCOONYQWSLSFN-GFCCVEGCSA-N 2 2 329.360 2.136 20 5 EEBDLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000266920096 464872247 /nfs/dbraw/zinc/87/22/47/464872247.db2.gz LUCOONYQWSLSFN-GFCCVEGCSA-N 2 2 329.360 2.136 20 5 EEBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000350829984 466617973 /nfs/dbraw/zinc/61/79/73/466617973.db2.gz KPFUNOLBVMLRSO-UHFFFAOYSA-N 2 2 337.395 2.278 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000341163932 466629018 /nfs/dbraw/zinc/62/90/18/466629018.db2.gz PABDWXGTLOMUGF-UHFFFAOYSA-N 2 2 331.376 2.060 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341163932 466629022 /nfs/dbraw/zinc/62/90/22/466629022.db2.gz PABDWXGTLOMUGF-UHFFFAOYSA-N 2 2 331.376 2.060 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423217499 466698614 /nfs/dbraw/zinc/69/86/14/466698614.db2.gz UIHDJZQKXNPBBG-BBRMVZONSA-N 2 2 329.404 2.007 20 5 EEBDLP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370709875 466975462 /nfs/dbraw/zinc/97/54/62/466975462.db2.gz RVTGAQBOCIGCGN-AEFFLSMTSA-N 2 2 346.475 2.361 20 5 EEBDLP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370709875 466975464 /nfs/dbraw/zinc/97/54/64/466975464.db2.gz RVTGAQBOCIGCGN-AEFFLSMTSA-N 2 2 346.475 2.361 20 5 EEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430652567 467455208 /nfs/dbraw/zinc/45/52/08/467455208.db2.gz NKUZTQYNPHHCPA-OCCSQVGLSA-N 2 2 348.403 2.095 20 5 EEBDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430652567 467455211 /nfs/dbraw/zinc/45/52/11/467455211.db2.gz NKUZTQYNPHHCPA-OCCSQVGLSA-N 2 2 348.403 2.095 20 5 EEBDLP CN(c1ccccc1)c1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415067966 467480942 /nfs/dbraw/zinc/48/09/42/467480942.db2.gz LVKMDKGXUDWMTN-MRXNPFEDSA-N 2 2 344.415 2.114 20 5 EEBDLP CN(c1ccccc1)c1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1[N+](=O)[O-] ZINC000415067966 467480945 /nfs/dbraw/zinc/48/09/45/467480945.db2.gz LVKMDKGXUDWMTN-MRXNPFEDSA-N 2 2 344.415 2.114 20 5 EEBDLP CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450027679 467764588 /nfs/dbraw/zinc/76/45/88/467764588.db2.gz PJHZWYCVRCKMOB-UHFFFAOYSA-N 2 2 345.403 2.242 20 5 EEBDLP CCC[N@@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450027679 467764591 /nfs/dbraw/zinc/76/45/91/467764591.db2.gz PJHZWYCVRCKMOB-UHFFFAOYSA-N 2 2 345.403 2.242 20 5 EEBDLP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601104717 468742495 /nfs/dbraw/zinc/74/24/95/468742495.db2.gz DRLYFICHWQHNBG-AWEZNQCLSA-N 2 2 343.431 2.003 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157371 469898889 /nfs/dbraw/zinc/89/88/89/469898889.db2.gz GSUDEEZRZBQDAW-CJNGLKHVSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157371 469898892 /nfs/dbraw/zinc/89/88/92/469898892.db2.gz GSUDEEZRZBQDAW-CJNGLKHVSA-N 2 2 343.387 2.455 20 5 EEBDLP C[NH+](C)C[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000738225781 578004616 /nfs/dbraw/zinc/00/46/16/578004616.db2.gz UFJGPLBBBPGNJO-AWEZNQCLSA-N 2 2 329.404 2.299 20 5 EEBDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000738225781 578004617 /nfs/dbraw/zinc/00/46/17/578004617.db2.gz UFJGPLBBBPGNJO-AWEZNQCLSA-N 2 2 329.404 2.299 20 5 EEBDLP C[NH2+]C[C@@H](C)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000842575721 1315724817 /nfs/dbraw/zinc/72/48/17/1315724817.db2.gz DAPGZQYDBCQFOE-SNVBAGLBSA-N 2 2 328.332 2.153 20 5 EEBDLP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC001210396523 1325263844 /nfs/dbraw/zinc/26/38/44/1325263844.db2.gz TWGDAQIDQBPJNY-UHFFFAOYSA-N 2 2 329.360 2.191 20 5 EEBDLP C[C@@H](C[NH+](C)C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006123 797193931 /nfs/dbraw/zinc/19/39/31/797193931.db2.gz MXIJCNIOHGZJIT-NSHDSACASA-N 2 2 342.390 2.382 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374430262 282225844 /nfs/dbraw/zinc/22/58/44/282225844.db2.gz RWKMPJBFQNOYDC-PVAVHDDUSA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374430262 282225845 /nfs/dbraw/zinc/22/58/45/282225845.db2.gz RWKMPJBFQNOYDC-PVAVHDDUSA-N 2 2 337.395 2.417 20 5 EEBDLP Cn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427102193 241375243 /nfs/dbraw/zinc/37/52/43/241375243.db2.gz FJBWWXPJZFPXPO-YOEHRIQHSA-N 2 2 341.415 2.179 20 5 EEBDLP Cn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000427102193 241375253 /nfs/dbraw/zinc/37/52/53/241375253.db2.gz FJBWWXPJZFPXPO-YOEHRIQHSA-N 2 2 341.415 2.179 20 5 EEBDLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000276917582 274273135 /nfs/dbraw/zinc/27/31/35/274273135.db2.gz ONOHTYQSPBUTLG-INIZCTEOSA-N 2 2 349.431 2.148 20 5 EEBDLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000276917582 274273137 /nfs/dbraw/zinc/27/31/37/274273137.db2.gz ONOHTYQSPBUTLG-INIZCTEOSA-N 2 2 349.431 2.148 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NCCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000423545759 303003698 /nfs/dbraw/zinc/00/36/98/303003698.db2.gz DQOJOGLNZMVBTA-MRXNPFEDSA-N 2 2 329.404 2.149 20 5 EEBDLP Cc1cc(N[C@H](C)C[NH+]2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083862 463317558 /nfs/dbraw/zinc/31/75/58/463317558.db2.gz JUUDBSKBWAIWIP-CQSZACIVSA-N 2 2 343.431 2.499 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](N[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000591578261 468486317 /nfs/dbraw/zinc/48/63/17/468486317.db2.gz HVOUMQJVLWXTRC-ZBFHGGJFSA-N 2 2 329.404 2.149 20 5 EEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000305204215 466377817 /nfs/dbraw/zinc/37/78/17/466377817.db2.gz XFWREHRFUGJWFE-SJORKVTESA-N 2 2 329.356 2.177 20 5 EEBDLP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000305204215 466377819 /nfs/dbraw/zinc/37/78/19/466377819.db2.gz XFWREHRFUGJWFE-SJORKVTESA-N 2 2 329.356 2.177 20 5 EEBDLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549660 467259067 /nfs/dbraw/zinc/25/90/67/467259067.db2.gz PZCDFVLAEGNPDA-QAPCUYQASA-N 2 2 333.432 2.229 20 5 EEBDLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549660 467259069 /nfs/dbraw/zinc/25/90/69/467259069.db2.gz PZCDFVLAEGNPDA-QAPCUYQASA-N 2 2 333.432 2.229 20 5 EEBDLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549660 467259070 /nfs/dbraw/zinc/25/90/70/467259070.db2.gz PZCDFVLAEGNPDA-QAPCUYQASA-N 2 2 333.432 2.229 20 5 EEBDLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000451549660 467259072 /nfs/dbraw/zinc/25/90/72/467259072.db2.gz PZCDFVLAEGNPDA-QAPCUYQASA-N 2 2 333.432 2.229 20 5 EEBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000420327032 467358501 /nfs/dbraw/zinc/35/85/01/467358501.db2.gz COOXRWCTLQNYMC-JSGCOSHPSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000420327032 467358506 /nfs/dbraw/zinc/35/85/06/467358506.db2.gz COOXRWCTLQNYMC-JSGCOSHPSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420336365 467364968 /nfs/dbraw/zinc/36/49/68/467364968.db2.gz MDIGEKOMAMKTMW-SWLSCSKDSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420336365 467364971 /nfs/dbraw/zinc/36/49/71/467364971.db2.gz MDIGEKOMAMKTMW-SWLSCSKDSA-N 2 2 334.420 2.291 20 5 EEBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420358685 467377064 /nfs/dbraw/zinc/37/70/64/467377064.db2.gz IXQDAUJAZFENOR-GFCCVEGCSA-N 2 2 328.800 2.150 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865450 468226779 /nfs/dbraw/zinc/22/67/79/468226779.db2.gz NSUJCNMBQLOQIS-OLZOCXBDSA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865450 468226781 /nfs/dbraw/zinc/22/67/81/468226781.db2.gz NSUJCNMBQLOQIS-OLZOCXBDSA-N 2 2 343.387 2.145 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593728944 469111240 /nfs/dbraw/zinc/11/12/40/469111240.db2.gz AZEMOZKQRIZFMN-XJKSGUPXSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593728944 469111247 /nfs/dbraw/zinc/11/12/47/469111247.db2.gz AZEMOZKQRIZFMN-XJKSGUPXSA-N 2 2 334.420 2.291 20 5 EEBDLP CCC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596652062 469322059 /nfs/dbraw/zinc/32/20/59/469322059.db2.gz FSFJWWVYKMIVMF-AWEZNQCLSA-N 2 2 331.376 2.180 20 5 EEBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000247093714 1213632641 /nfs/dbraw/zinc/63/26/41/1213632641.db2.gz PNYKMYZMUMGSDG-CZUORRHYSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000247093714 1213632645 /nfs/dbraw/zinc/63/26/45/1213632645.db2.gz PNYKMYZMUMGSDG-CZUORRHYSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000247093714 1213632648 /nfs/dbraw/zinc/63/26/48/1213632648.db2.gz PNYKMYZMUMGSDG-CZUORRHYSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000247093714 1213632650 /nfs/dbraw/zinc/63/26/50/1213632650.db2.gz PNYKMYZMUMGSDG-CZUORRHYSA-N 2 2 329.404 2.318 20 5 EEBDLP Cc1[nH+]cc2n1CCN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C2 ZINC001165385857 1321512915 /nfs/dbraw/zinc/51/29/15/1321512915.db2.gz XUSDDGNFVBDTJF-SNAWJCMRSA-N 2 2 328.376 2.047 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000923401455 789502369 /nfs/dbraw/zinc/50/23/69/789502369.db2.gz NGLKDDCPNVBXPR-KWCYVHTRSA-N 2 2 347.337 2.087 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000923401455 789502375 /nfs/dbraw/zinc/50/23/75/789502375.db2.gz NGLKDDCPNVBXPR-KWCYVHTRSA-N 2 2 347.337 2.087 20 5 EEBDLP C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000271216616 256220733 /nfs/dbraw/zinc/22/07/33/256220733.db2.gz IZSJPDVFOPQCQD-KBRIMQKVSA-N 2 2 330.388 2.408 20 5 EEBDLP C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000271216616 256220734 /nfs/dbraw/zinc/22/07/34/256220734.db2.gz IZSJPDVFOPQCQD-KBRIMQKVSA-N 2 2 330.388 2.408 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000522010745 468349823 /nfs/dbraw/zinc/34/98/23/468349823.db2.gz DPXRKMINGVFWGK-NSHDSACASA-N 2 2 326.360 2.194 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000522010745 468349828 /nfs/dbraw/zinc/34/98/28/468349828.db2.gz DPXRKMINGVFWGK-NSHDSACASA-N 2 2 326.360 2.194 20 5 EEBDLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000105797641 463465493 /nfs/dbraw/zinc/46/54/93/463465493.db2.gz XMUOTGKDZXBJDH-HNNXBMFYSA-N 2 2 342.403 2.185 20 5 EEBDLP Cn1ccnc1[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353625070 466019432 /nfs/dbraw/zinc/01/94/32/466019432.db2.gz VKAWZHQRHCONBM-KRWDZBQOSA-N 2 2 341.415 2.269 20 5 EEBDLP Cn1ccnc1[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353625070 466019437 /nfs/dbraw/zinc/01/94/37/466019437.db2.gz VKAWZHQRHCONBM-KRWDZBQOSA-N 2 2 341.415 2.269 20 5 EEBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423576972 466776958 /nfs/dbraw/zinc/77/69/58/466776958.db2.gz RQZMKKUZSSQARS-CHWSQXEVSA-N 2 2 325.434 2.044 20 5 EEBDLP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370709876 466975385 /nfs/dbraw/zinc/97/53/85/466975385.db2.gz RVTGAQBOCIGCGN-FUHWJXTLSA-N 2 2 346.475 2.361 20 5 EEBDLP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000370709876 466975389 /nfs/dbraw/zinc/97/53/89/466975389.db2.gz RVTGAQBOCIGCGN-FUHWJXTLSA-N 2 2 346.475 2.361 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000595007746 468741899 /nfs/dbraw/zinc/74/18/99/468741899.db2.gz JNDOURIGYFLRCQ-UONOGXRCSA-N 2 2 337.420 2.222 20 5 EEBDLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598718031 468972112 /nfs/dbraw/zinc/97/21/12/468972112.db2.gz IXDMODXSKCVYHV-MAUKXSAKSA-N 2 2 341.415 2.309 20 5 EEBDLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598718031 468972115 /nfs/dbraw/zinc/97/21/15/468972115.db2.gz IXDMODXSKCVYHV-MAUKXSAKSA-N 2 2 341.415 2.309 20 5 EEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611244105 469207425 /nfs/dbraw/zinc/20/74/25/469207425.db2.gz AXGLRTQEFNGFKB-DYVFJYSZSA-N 2 2 346.431 2.070 20 5 EEBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611244105 469207430 /nfs/dbraw/zinc/20/74/30/469207430.db2.gz AXGLRTQEFNGFKB-DYVFJYSZSA-N 2 2 346.431 2.070 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)OCCO2 ZINC000611261828 469212598 /nfs/dbraw/zinc/21/25/98/469212598.db2.gz HLIMKYHXVNOFHJ-LBPRGKRZSA-N 2 2 344.371 2.469 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)OCCO2 ZINC000611261828 469212603 /nfs/dbraw/zinc/21/26/03/469212603.db2.gz HLIMKYHXVNOFHJ-LBPRGKRZSA-N 2 2 344.371 2.469 20 5 EEBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000611270937 469215484 /nfs/dbraw/zinc/21/54/84/469215484.db2.gz UREYHTSPRSQEDE-NCRRVARUSA-N 2 2 344.459 2.320 20 5 EEBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000611270937 469215487 /nfs/dbraw/zinc/21/54/87/469215487.db2.gz UREYHTSPRSQEDE-NCRRVARUSA-N 2 2 344.459 2.320 20 5 EEBDLP CC(C)[NH2+]C1(CO)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000596249840 469220592 /nfs/dbraw/zinc/22/05/92/469220592.db2.gz ATEYVCQJFQZGEF-UHFFFAOYSA-N 2 2 344.415 2.472 20 5 EEBDLP COCCC[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602530314 469351544 /nfs/dbraw/zinc/35/15/44/469351544.db2.gz RPYGOZBTMUQFLR-UHFFFAOYSA-N 2 2 348.403 2.327 20 5 EEBDLP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173891759 527818723 /nfs/dbraw/zinc/81/87/23/527818723.db2.gz LFZKMBSFWFVMJS-AWEZNQCLSA-N 2 2 337.420 2.256 20 5 EEBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173891759 527818731 /nfs/dbraw/zinc/81/87/31/527818731.db2.gz LFZKMBSFWFVMJS-AWEZNQCLSA-N 2 2 337.420 2.256 20 5 EEBDLP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173891759 527818735 /nfs/dbraw/zinc/81/87/35/527818735.db2.gz LFZKMBSFWFVMJS-AWEZNQCLSA-N 2 2 337.420 2.256 20 5 EEBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173891759 527818742 /nfs/dbraw/zinc/81/87/42/527818742.db2.gz LFZKMBSFWFVMJS-AWEZNQCLSA-N 2 2 337.420 2.256 20 5 EEBDLP CC(C)[N@H+](C)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447811807 535009809 /nfs/dbraw/zinc/00/98/09/535009809.db2.gz HYWUXRKCECIYFE-UHFFFAOYSA-N 2 2 336.436 2.179 20 5 EEBDLP CC(C)[N@@H+](C)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447811807 535009816 /nfs/dbraw/zinc/00/98/16/535009816.db2.gz HYWUXRKCECIYFE-UHFFFAOYSA-N 2 2 336.436 2.179 20 5 EEBDLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000129203699 1201753693 /nfs/dbraw/zinc/75/36/93/1201753693.db2.gz WDJKSNUTAHGBSF-GDBMZVCRSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000129203699 1201753697 /nfs/dbraw/zinc/75/36/97/1201753697.db2.gz WDJKSNUTAHGBSF-GDBMZVCRSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000129203699 1201753699 /nfs/dbraw/zinc/75/36/99/1201753699.db2.gz WDJKSNUTAHGBSF-GDBMZVCRSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000129203699 1201753703 /nfs/dbraw/zinc/75/37/03/1201753703.db2.gz WDJKSNUTAHGBSF-GDBMZVCRSA-N 2 2 329.404 2.318 20 5 EEBDLP COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246584319 1310349369 /nfs/dbraw/zinc/34/93/69/1310349369.db2.gz IYRRXTJXXKZBHV-GLQYFDAESA-N 2 2 325.384 2.296 20 5 EEBDLP COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246584319 1310349375 /nfs/dbraw/zinc/34/93/75/1310349375.db2.gz IYRRXTJXXKZBHV-GLQYFDAESA-N 2 2 325.384 2.296 20 5 EEBDLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843355732 1315898679 /nfs/dbraw/zinc/89/86/79/1315898679.db2.gz IMVWPVPYFCBUOP-AWEZNQCLSA-N 2 2 328.800 2.150 20 5 EEBDLP [NH3+][C@@H]1CCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173012716 797196379 /nfs/dbraw/zinc/19/63/79/797196379.db2.gz XEYKZZQOUFMWTR-LLVKDONJSA-N 2 2 340.374 2.265 20 5 EEBDLP [NH3+][C@@H]1CCC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173012716 797196384 /nfs/dbraw/zinc/19/63/84/797196384.db2.gz XEYKZZQOUFMWTR-LLVKDONJSA-N 2 2 340.374 2.265 20 5 EEBDLP CC[NH+](CC)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000072871523 216322429 /nfs/dbraw/zinc/32/24/29/216322429.db2.gz ASPCUPPXEMJLNM-UHFFFAOYSA-N 2 2 345.403 2.242 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000346326226 161363264 /nfs/dbraw/zinc/36/32/64/161363264.db2.gz KDEVABHUHBRQRJ-XJKCOSOUSA-N 2 2 334.420 2.384 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346326226 161363265 /nfs/dbraw/zinc/36/32/65/161363265.db2.gz KDEVABHUHBRQRJ-XJKCOSOUSA-N 2 2 334.420 2.384 20 5 EEBDLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000360950425 164406503 /nfs/dbraw/zinc/40/65/03/164406503.db2.gz CFUDKPWWEDNFGI-UHFFFAOYSA-N 2 2 349.431 2.145 20 5 EEBDLP C[NH+](C)CCO[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413200961 312819481 /nfs/dbraw/zinc/81/94/81/312819481.db2.gz VQXYHSYJYSVPFW-OAHLLOKOSA-N 2 2 330.388 2.300 20 5 EEBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803475 463328062 /nfs/dbraw/zinc/32/80/62/463328062.db2.gz UMXOTARKKICIKQ-MRXNPFEDSA-N 2 2 349.431 2.018 20 5 EEBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803475 463328064 /nfs/dbraw/zinc/32/80/64/463328064.db2.gz UMXOTARKKICIKQ-MRXNPFEDSA-N 2 2 349.431 2.018 20 5 EEBDLP COC[C@@](C)([NH3+])CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270219131 464223126 /nfs/dbraw/zinc/22/31/26/464223126.db2.gz MRDTVNORKKNPPD-INIZCTEOSA-N 2 2 331.376 2.136 20 5 EEBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427887343 467184427 /nfs/dbraw/zinc/18/44/27/467184427.db2.gz SKFPIXOGYGHAFZ-GXTWGEPZSA-N 2 2 343.387 2.113 20 5 EEBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427887345 467184510 /nfs/dbraw/zinc/18/45/10/467184510.db2.gz SKFPIXOGYGHAFZ-JSGCOSHPSA-N 2 2 343.387 2.113 20 5 EEBDLP CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC[NH2+]CC1 ZINC000431071482 467491716 /nfs/dbraw/zinc/49/17/16/467491716.db2.gz BCTUBEVZSYJEKE-UHFFFAOYSA-N 2 2 334.420 2.306 20 5 EEBDLP CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC[NH2+]CC1 ZINC000431071482 467491719 /nfs/dbraw/zinc/49/17/19/467491719.db2.gz BCTUBEVZSYJEKE-UHFFFAOYSA-N 2 2 334.420 2.306 20 5 EEBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718541 469020946 /nfs/dbraw/zinc/02/09/46/469020946.db2.gz KQHKKKRWPGSQRA-MRXNPFEDSA-N 2 2 349.431 2.160 20 5 EEBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718541 469020953 /nfs/dbraw/zinc/02/09/53/469020953.db2.gz KQHKKKRWPGSQRA-MRXNPFEDSA-N 2 2 349.431 2.160 20 5 EEBDLP Cc1cc(N[C@H]2CC[NH2+][C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601980498 469126366 /nfs/dbraw/zinc/12/63/66/469126366.db2.gz LTVDTEIHEPZSSG-FZMZJTMJSA-N 2 2 327.388 2.335 20 5 EEBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000602527573 469350936 /nfs/dbraw/zinc/35/09/36/469350936.db2.gz QRKLEYKRSLFBCL-CYBMUJFWSA-N 2 2 347.337 2.160 20 5 EEBDLP O=[N+]([O-])c1ccn(CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC000880569259 1201525347 /nfs/dbraw/zinc/52/53/47/1201525347.db2.gz KGAVBRCHFXBOFI-OAHLLOKOSA-N 2 2 326.360 2.019 20 5 EEBDLP O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1-n1cc[nH+]c1 ZINC000842642976 1315743279 /nfs/dbraw/zinc/74/32/79/1315743279.db2.gz WXXIVGKOKNLYDS-NSHDSACASA-N 2 2 326.316 2.255 20 5 EEBDLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC001158270585 1319128963 /nfs/dbraw/zinc/12/89/63/1319128963.db2.gz VYKXWWQMNWASCT-AWEZNQCLSA-N 2 2 341.415 2.145 20 5 EEBDLP [NH3+][C@H]1CC[N@H+](C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC001158270585 1319128970 /nfs/dbraw/zinc/12/89/70/1319128970.db2.gz VYKXWWQMNWASCT-AWEZNQCLSA-N 2 2 341.415 2.145 20 5 EEBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423038098 240339857 /nfs/dbraw/zinc/33/98/57/240339857.db2.gz CNMGYTNWWOOTQF-FZMZJTMJSA-N 2 2 327.812 2.147 20 5 EEBDLP CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376800470 167395871 /nfs/dbraw/zinc/39/58/71/167395871.db2.gz ZLLOFGCCAAISSD-SFHVURJKSA-N 2 2 332.448 2.195 20 5 EEBDLP CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376800470 167395873 /nfs/dbraw/zinc/39/58/73/167395873.db2.gz ZLLOFGCCAAISSD-SFHVURJKSA-N 2 2 332.448 2.195 20 5 EEBDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C ZINC000123813642 222335864 /nfs/dbraw/zinc/33/58/64/222335864.db2.gz TWKOSXUQVNSSIM-IUODEOHRSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1C ZINC000123813642 222335868 /nfs/dbraw/zinc/33/58/68/222335868.db2.gz TWKOSXUQVNSSIM-IUODEOHRSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[NH+]1C ZINC000123813642 222335872 /nfs/dbraw/zinc/33/58/72/222335872.db2.gz TWKOSXUQVNSSIM-IUODEOHRSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[NH+]1C ZINC000123813642 222335875 /nfs/dbraw/zinc/33/58/75/222335875.db2.gz TWKOSXUQVNSSIM-IUODEOHRSA-N 2 2 335.404 2.376 20 5 EEBDLP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414802285 313093320 /nfs/dbraw/zinc/09/33/20/313093320.db2.gz VLDOSGKXODVBGU-LLVKDONJSA-N 2 2 347.362 2.320 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000577408452 320254151 /nfs/dbraw/zinc/25/41/51/320254151.db2.gz XXBRECYZYMMVDL-LLVKDONJSA-N 2 2 327.344 2.459 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000577408452 320254152 /nfs/dbraw/zinc/25/41/52/320254152.db2.gz XXBRECYZYMMVDL-LLVKDONJSA-N 2 2 327.344 2.459 20 5 EEBDLP C[C@H]1CCC[N@H+](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000554527278 468415870 /nfs/dbraw/zinc/41/58/70/468415870.db2.gz ZRWFPZGSLRFBSY-AWEZNQCLSA-N 2 2 334.420 2.245 20 5 EEBDLP C[C@H]1CCC[N@@H+](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000554527278 468415875 /nfs/dbraw/zinc/41/58/75/468415875.db2.gz ZRWFPZGSLRFBSY-AWEZNQCLSA-N 2 2 334.420 2.245 20 5 EEBDLP CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372364023 466331575 /nfs/dbraw/zinc/33/15/75/466331575.db2.gz DANJMOYWFWRREQ-SFHVURJKSA-N 2 2 332.448 2.195 20 5 EEBDLP CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372364023 466331579 /nfs/dbraw/zinc/33/15/79/466331579.db2.gz DANJMOYWFWRREQ-SFHVURJKSA-N 2 2 332.448 2.195 20 5 EEBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430580030 467445363 /nfs/dbraw/zinc/44/53/63/467445363.db2.gz DCXHDOGJPVBBCX-JKSUJKDBSA-N 2 2 334.420 2.005 20 5 EEBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430580030 467445367 /nfs/dbraw/zinc/44/53/67/467445367.db2.gz DCXHDOGJPVBBCX-JKSUJKDBSA-N 2 2 334.420 2.005 20 5 EEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430652569 467455249 /nfs/dbraw/zinc/45/52/49/467455249.db2.gz NKUZTQYNPHHCPA-TZMCWYRMSA-N 2 2 348.403 2.095 20 5 EEBDLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000430652569 467455253 /nfs/dbraw/zinc/45/52/53/467455253.db2.gz NKUZTQYNPHHCPA-TZMCWYRMSA-N 2 2 348.403 2.095 20 5 EEBDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000582972731 468624699 /nfs/dbraw/zinc/62/46/99/468624699.db2.gz PNRMNVPUOLDERI-UHFFFAOYSA-N 2 2 329.404 2.083 20 5 EEBDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521865 468887991 /nfs/dbraw/zinc/88/79/91/468887991.db2.gz FXDSCXQLLXMSFW-WMZOPIPTSA-N 2 2 335.448 2.475 20 5 EEBDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521865 468887993 /nfs/dbraw/zinc/88/79/93/468887993.db2.gz FXDSCXQLLXMSFW-WMZOPIPTSA-N 2 2 335.448 2.475 20 5 EEBDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521865 468887995 /nfs/dbraw/zinc/88/79/95/468887995.db2.gz FXDSCXQLLXMSFW-WMZOPIPTSA-N 2 2 335.448 2.475 20 5 EEBDLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595521865 468887999 /nfs/dbraw/zinc/88/79/99/468887999.db2.gz FXDSCXQLLXMSFW-WMZOPIPTSA-N 2 2 335.448 2.475 20 5 EEBDLP C[C@H]1C[NH+]=C(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000748046847 577954145 /nfs/dbraw/zinc/95/41/45/577954145.db2.gz RVHIBIRHQJPOBJ-ZDUSSCGKSA-N 2 2 334.445 2.246 20 5 EEBDLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000247080653 1213614121 /nfs/dbraw/zinc/61/41/21/1213614121.db2.gz WPKHVQAGCLCTIG-BBRMVZONSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000247080653 1213614125 /nfs/dbraw/zinc/61/41/25/1213614125.db2.gz WPKHVQAGCLCTIG-BBRMVZONSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000247080653 1213614127 /nfs/dbraw/zinc/61/41/27/1213614127.db2.gz WPKHVQAGCLCTIG-BBRMVZONSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000247080653 1213614129 /nfs/dbraw/zinc/61/41/29/1213614129.db2.gz WPKHVQAGCLCTIG-BBRMVZONSA-N 2 2 329.404 2.318 20 5 EEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001576116991 1343968313 /nfs/dbraw/zinc/96/83/13/1343968313.db2.gz CZIXPPVMYVYRGB-NEPJUHHUSA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001576116991 1343968317 /nfs/dbraw/zinc/96/83/17/1343968317.db2.gz CZIXPPVMYVYRGB-NEPJUHHUSA-N 2 2 331.376 2.204 20 5 EEBDLP CC(C)[N@@H+]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001357128131 1373209780 /nfs/dbraw/zinc/20/97/80/1373209780.db2.gz YLVFMWRFPKGEGZ-AWEZNQCLSA-N 2 2 334.420 2.386 20 5 EEBDLP CC(C)[N@H+]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001357128131 1373209782 /nfs/dbraw/zinc/20/97/82/1373209782.db2.gz YLVFMWRFPKGEGZ-AWEZNQCLSA-N 2 2 334.420 2.386 20 5 EEBDLP C[C@@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000447813709 242319879 /nfs/dbraw/zinc/31/98/79/242319879.db2.gz XELNHXFREZRNCO-GDBMZVCRSA-N 2 2 348.447 2.322 20 5 EEBDLP C[C@@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000447813709 242319881 /nfs/dbraw/zinc/31/98/81/242319881.db2.gz XELNHXFREZRNCO-GDBMZVCRSA-N 2 2 348.447 2.322 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794672 159352482 /nfs/dbraw/zinc/35/24/82/159352482.db2.gz WPOONXDYRMIHBC-UHFFFAOYSA-N 2 2 343.387 2.375 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000238053360 160227155 /nfs/dbraw/zinc/22/71/55/160227155.db2.gz FACAWMKSIYXKHL-SFHVURJKSA-N 2 2 341.411 2.104 20 5 EEBDLP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000238053360 160227157 /nfs/dbraw/zinc/22/71/57/160227157.db2.gz FACAWMKSIYXKHL-SFHVURJKSA-N 2 2 341.411 2.104 20 5 EEBDLP COc1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c([N+](=O)[O-])c1 ZINC000293042005 293109881 /nfs/dbraw/zinc/10/98/81/293109881.db2.gz SMDPDGXLFLGPCU-SFHVURJKSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c([N+](=O)[O-])c1 ZINC000293042005 293109883 /nfs/dbraw/zinc/10/98/83/293109883.db2.gz SMDPDGXLFLGPCU-SFHVURJKSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000293042005 293109884 /nfs/dbraw/zinc/10/98/84/293109884.db2.gz SMDPDGXLFLGPCU-SFHVURJKSA-N 2 2 349.431 2.400 20 5 EEBDLP COc1ccc(OCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000293042005 293109887 /nfs/dbraw/zinc/10/98/87/293109887.db2.gz SMDPDGXLFLGPCU-SFHVURJKSA-N 2 2 349.431 2.400 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080988885 463379694 /nfs/dbraw/zinc/37/96/94/463379694.db2.gz BXYQVXPCHGHHHP-ZDUSSCGKSA-N 2 2 343.387 2.444 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080988885 463379700 /nfs/dbraw/zinc/37/97/00/463379700.db2.gz BXYQVXPCHGHHHP-ZDUSSCGKSA-N 2 2 343.387 2.444 20 5 EEBDLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237990747 464415593 /nfs/dbraw/zinc/41/55/93/464415593.db2.gz UKHYSSDIQDPJAH-KGLIPLIRSA-N 2 2 343.387 2.028 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593733950 469114015 /nfs/dbraw/zinc/11/40/15/469114015.db2.gz OYRCSIYVKWYECI-BLLLJJGKSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593733950 469114021 /nfs/dbraw/zinc/11/40/21/469114021.db2.gz OYRCSIYVKWYECI-BLLLJJGKSA-N 2 2 334.420 2.291 20 5 EEBDLP O=[N+]([O-])c1cnn(CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880569182 1201525383 /nfs/dbraw/zinc/52/53/83/1201525383.db2.gz JHKYFCMWGSWJIO-INIZCTEOSA-N 2 2 326.360 2.019 20 5 EEBDLP COc1ccc(C[C@H](C)[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246558107 1310341185 /nfs/dbraw/zinc/34/11/85/1310341185.db2.gz ONTZVPKFAXOLCV-WCQYABFASA-N 2 2 343.374 2.450 20 5 EEBDLP COc1ccc(C[C@H](C)[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246558107 1310341195 /nfs/dbraw/zinc/34/11/95/1310341195.db2.gz ONTZVPKFAXOLCV-WCQYABFASA-N 2 2 343.374 2.450 20 5 EEBDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131425605 223232504 /nfs/dbraw/zinc/23/25/04/223232504.db2.gz DWEUTSLRWBZWID-QGZVFWFLSA-N 2 2 333.388 2.257 20 5 EEBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352738116 162267360 /nfs/dbraw/zinc/26/73/60/162267360.db2.gz SBHRHRHVNKYSFQ-UHFFFAOYSA-N 2 2 336.417 2.411 20 5 EEBDLP O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)n1 ZINC000365116716 165383713 /nfs/dbraw/zinc/38/37/13/165383713.db2.gz LRPROFFRSIAWHN-UHFFFAOYSA-N 2 2 326.360 2.276 20 5 EEBDLP [NH3+]CCN(Cc1[nH+]ccn1CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000289930394 275162696 /nfs/dbraw/zinc/16/26/96/275162696.db2.gz WKCMLDIOARRKCJ-UHFFFAOYSA-N 2 2 343.309 2.319 20 5 EEBDLP [NH3+]CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000310594477 303376425 /nfs/dbraw/zinc/37/64/25/303376425.db2.gz OAHDTBUOMGXHTL-UHFFFAOYSA-N 2 2 342.399 2.384 20 5 EEBDLP [NH3+]CCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000310594477 303376427 /nfs/dbraw/zinc/37/64/27/303376427.db2.gz OAHDTBUOMGXHTL-UHFFFAOYSA-N 2 2 342.399 2.384 20 5 EEBDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000155344438 462876791 /nfs/dbraw/zinc/87/67/91/462876791.db2.gz UXFCQHPAEAYNEW-WMLDXEAASA-N 2 2 348.447 2.188 20 5 EEBDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000155344438 462876797 /nfs/dbraw/zinc/87/67/97/462876797.db2.gz UXFCQHPAEAYNEW-WMLDXEAASA-N 2 2 348.447 2.188 20 5 EEBDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000071892873 463458610 /nfs/dbraw/zinc/45/86/10/463458610.db2.gz GIGJVECCEPVZRZ-KRWDZBQOSA-N 2 2 332.448 2.197 20 5 EEBDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000071892873 463458615 /nfs/dbraw/zinc/45/86/15/463458615.db2.gz GIGJVECCEPVZRZ-KRWDZBQOSA-N 2 2 332.448 2.197 20 5 EEBDLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237894724 464399041 /nfs/dbraw/zinc/39/90/41/464399041.db2.gz UKHYSSDIQDPJAH-KBPBESRZSA-N 2 2 343.387 2.028 20 5 EEBDLP Cn1cc[nH+]c1[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000591578250 468486105 /nfs/dbraw/zinc/48/61/05/468486105.db2.gz GSURHVCANYFNRT-GDBMZVCRSA-N 2 2 329.404 2.149 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000347313708 466557146 /nfs/dbraw/zinc/55/71/46/466557146.db2.gz IVQFMUYUIWEURN-QINSGFPZSA-N 2 2 333.432 2.387 20 5 EEBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000347313708 466557151 /nfs/dbraw/zinc/55/71/51/466557151.db2.gz IVQFMUYUIWEURN-QINSGFPZSA-N 2 2 333.432 2.387 20 5 EEBDLP C[C@@H]1C[C@H](N[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000423377154 466732752 /nfs/dbraw/zinc/73/27/52/466732752.db2.gz JXNBMIRZQLACMM-XNRPHZJLSA-N 2 2 329.404 2.148 20 5 EEBDLP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000420327035 467359073 /nfs/dbraw/zinc/35/90/73/467359073.db2.gz COOXRWCTLQNYMC-TZMCWYRMSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000420327035 467359076 /nfs/dbraw/zinc/35/90/76/467359076.db2.gz COOXRWCTLQNYMC-TZMCWYRMSA-N 2 2 334.420 2.291 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000601099964 468740820 /nfs/dbraw/zinc/74/08/20/468740820.db2.gz CDVXIPYFFOSANU-HNNXBMFYSA-N 2 2 342.399 2.444 20 5 EEBDLP CC(C)(O)C[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601110924 468744763 /nfs/dbraw/zinc/74/47/63/468744763.db2.gz LLOMDBNAJBNNCR-UHFFFAOYSA-N 2 2 330.388 2.036 20 5 EEBDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000571626841 468813377 /nfs/dbraw/zinc/81/33/77/468813377.db2.gz MFHRZIVAGGUIDZ-BFJAYTPKSA-N 2 2 333.436 2.490 20 5 EEBDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000571626841 468813379 /nfs/dbraw/zinc/81/33/79/468813379.db2.gz MFHRZIVAGGUIDZ-BFJAYTPKSA-N 2 2 333.436 2.490 20 5 EEBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718500 469020325 /nfs/dbraw/zinc/02/03/25/469020325.db2.gz IWAGNYRSLNSGRF-INIZCTEOSA-N 2 2 349.431 2.160 20 5 EEBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718500 469020329 /nfs/dbraw/zinc/02/03/29/469020329.db2.gz IWAGNYRSLNSGRF-INIZCTEOSA-N 2 2 349.431 2.160 20 5 EEBDLP COc1ccc(OCC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000573574033 469165066 /nfs/dbraw/zinc/16/50/66/469165066.db2.gz INNPFCLHAMHYNB-ZDUSSCGKSA-N 2 2 346.387 2.205 20 5 EEBDLP COc1ccc(OCC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000573574033 469165071 /nfs/dbraw/zinc/16/50/71/469165071.db2.gz INNPFCLHAMHYNB-ZDUSSCGKSA-N 2 2 346.387 2.205 20 5 EEBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@@H]21 ZINC000611286354 469220225 /nfs/dbraw/zinc/22/02/25/469220225.db2.gz QTKHDGSPAZUAGM-ZFWWWQNUSA-N 2 2 347.415 2.282 20 5 EEBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@@H]21 ZINC000611286354 469220228 /nfs/dbraw/zinc/22/02/28/469220228.db2.gz QTKHDGSPAZUAGM-ZFWWWQNUSA-N 2 2 347.415 2.282 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@@H]21 ZINC000611286354 469220231 /nfs/dbraw/zinc/22/02/31/469220231.db2.gz QTKHDGSPAZUAGM-ZFWWWQNUSA-N 2 2 347.415 2.282 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@@H]21 ZINC000611286354 469220233 /nfs/dbraw/zinc/22/02/33/469220233.db2.gz QTKHDGSPAZUAGM-ZFWWWQNUSA-N 2 2 347.415 2.282 20 5 EEBDLP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000603433995 469394845 /nfs/dbraw/zinc/39/48/45/469394845.db2.gz OGQKPFLULYEQPU-OLZOCXBDSA-N 2 2 345.346 2.420 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157340 469897534 /nfs/dbraw/zinc/89/75/34/469897534.db2.gz DTLTWQNAIOPCJG-UONOGXRCSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157340 469897536 /nfs/dbraw/zinc/89/75/36/469897536.db2.gz DTLTWQNAIOPCJG-UONOGXRCSA-N 2 2 343.387 2.455 20 5 EEBDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]2C1 ZINC000931438236 1207380480 /nfs/dbraw/zinc/38/04/80/1207380480.db2.gz PMYWKEQJSWKOBF-KGLIPLIRSA-N 2 2 343.387 2.028 20 5 EEBDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]2C1 ZINC000931438236 1207380483 /nfs/dbraw/zinc/38/04/83/1207380483.db2.gz PMYWKEQJSWKOBF-KGLIPLIRSA-N 2 2 343.387 2.028 20 5 EEBDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]2C1 ZINC000931438236 1207380487 /nfs/dbraw/zinc/38/04/87/1207380487.db2.gz PMYWKEQJSWKOBF-KGLIPLIRSA-N 2 2 343.387 2.028 20 5 EEBDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]2C1 ZINC000931438236 1207380488 /nfs/dbraw/zinc/38/04/88/1207380488.db2.gz PMYWKEQJSWKOBF-KGLIPLIRSA-N 2 2 343.387 2.028 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842603 159368393 /nfs/dbraw/zinc/36/83/93/159368393.db2.gz SVSUTVUQFMGGDY-ZIAGYGMSSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842603 159368396 /nfs/dbraw/zinc/36/83/96/159368396.db2.gz SVSUTVUQFMGGDY-ZIAGYGMSSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842603 159368399 /nfs/dbraw/zinc/36/83/99/159368399.db2.gz SVSUTVUQFMGGDY-ZIAGYGMSSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842603 159368401 /nfs/dbraw/zinc/36/84/01/159368401.db2.gz SVSUTVUQFMGGDY-ZIAGYGMSSA-N 2 2 334.420 2.195 20 5 EEBDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000245411737 160233335 /nfs/dbraw/zinc/23/33/35/160233335.db2.gz YFKFNUYMWVZWCP-HOTGVXAUSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000245411737 160233336 /nfs/dbraw/zinc/23/33/36/160233336.db2.gz YFKFNUYMWVZWCP-HOTGVXAUSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000245411737 160233337 /nfs/dbraw/zinc/23/33/37/160233337.db2.gz YFKFNUYMWVZWCP-HOTGVXAUSA-N 2 2 335.452 2.378 20 5 EEBDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000245411737 160233338 /nfs/dbraw/zinc/23/33/38/160233338.db2.gz YFKFNUYMWVZWCP-HOTGVXAUSA-N 2 2 335.452 2.378 20 5 EEBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000122687823 222137614 /nfs/dbraw/zinc/13/76/14/222137614.db2.gz WSVGLLYKGZUYAY-UHFFFAOYSA-N 2 2 340.855 2.318 20 5 EEBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000122687823 222137619 /nfs/dbraw/zinc/13/76/19/222137619.db2.gz WSVGLLYKGZUYAY-UHFFFAOYSA-N 2 2 340.855 2.318 20 5 EEBDLP COc1cc(C[NH2+]CC(C)(C)[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000414798078 313091873 /nfs/dbraw/zinc/09/18/73/313091873.db2.gz DNHJNSRTMZRVNR-UHFFFAOYSA-N 2 2 333.335 2.074 20 5 EEBDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)CC1 ZINC000286288333 464869506 /nfs/dbraw/zinc/86/95/06/464869506.db2.gz RROATKHCGLFARY-UHFFFAOYSA-N 2 2 347.463 2.172 20 5 EEBDLP [NH3+][C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000591275508 468435485 /nfs/dbraw/zinc/43/54/85/468435485.db2.gz NPYRKLLHKMLFLA-CQSZACIVSA-N 2 2 329.356 2.156 20 5 EEBDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000358152505 466498598 /nfs/dbraw/zinc/49/85/98/466498598.db2.gz CIBVSLDCLRSLKS-QGZVFWFLSA-N 2 2 331.372 2.011 20 5 EEBDLP Cc1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000600962228 468698135 /nfs/dbraw/zinc/69/81/35/468698135.db2.gz BMOYAGUHZNAOAS-OKILXGFUSA-N 2 2 325.372 2.301 20 5 EEBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000602527576 469350596 /nfs/dbraw/zinc/35/05/96/469350596.db2.gz QRKLEYKRSLFBCL-ZDUSSCGKSA-N 2 2 347.337 2.160 20 5 EEBDLP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000877747510 1200072282 /nfs/dbraw/zinc/07/22/82/1200072282.db2.gz OKGHGFNQZBWHLF-UHFFFAOYSA-N 2 2 332.448 2.115 20 5 EEBDLP [NH3+][C@H]1CCC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173012717 797196408 /nfs/dbraw/zinc/19/64/08/797196408.db2.gz XEYKZZQOUFMWTR-NSHDSACASA-N 2 2 340.374 2.265 20 5 EEBDLP [NH3+][C@H]1CCC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173012717 797196412 /nfs/dbraw/zinc/19/64/12/797196412.db2.gz XEYKZZQOUFMWTR-NSHDSACASA-N 2 2 340.374 2.265 20 5 EEBDLP COc1cc(C[N@H+](C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414781718 313086595 /nfs/dbraw/zinc/08/65/95/313086595.db2.gz WLYFOHCLZILRMH-UHFFFAOYSA-N 2 2 345.346 2.169 20 5 EEBDLP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414781718 313086598 /nfs/dbraw/zinc/08/65/98/313086598.db2.gz WLYFOHCLZILRMH-UHFFFAOYSA-N 2 2 345.346 2.169 20 5 EEBDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000579489472 468366811 /nfs/dbraw/zinc/36/68/11/468366811.db2.gz VJDBCXNMMXTFPR-UHFFFAOYSA-N 2 2 329.404 2.083 20 5 EEBDLP Cc1nc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000269299396 463945794 /nfs/dbraw/zinc/94/57/94/463945794.db2.gz BNVBDPNKULKRNJ-UHFFFAOYSA-N 2 2 347.463 2.293 20 5 EEBDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339009872 466566692 /nfs/dbraw/zinc/56/66/92/466566692.db2.gz LFUOHLBGOTVORK-INIZCTEOSA-N 2 2 337.420 2.233 20 5 EEBDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339009872 466566696 /nfs/dbraw/zinc/56/66/96/466566696.db2.gz LFUOHLBGOTVORK-INIZCTEOSA-N 2 2 337.420 2.233 20 5 EEBDLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000451987206 467295075 /nfs/dbraw/zinc/29/50/75/467295075.db2.gz NWLYROHZHBZSHV-UHFFFAOYSA-N 2 2 338.427 2.240 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000582615392 468567157 /nfs/dbraw/zinc/56/71/57/468567157.db2.gz VNJSCDIGZHTSFY-GOEBONIOSA-N 2 2 346.431 2.400 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000582615392 468567161 /nfs/dbraw/zinc/56/71/61/468567161.db2.gz VNJSCDIGZHTSFY-GOEBONIOSA-N 2 2 346.431 2.400 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000582615392 468567164 /nfs/dbraw/zinc/56/71/64/468567164.db2.gz VNJSCDIGZHTSFY-GOEBONIOSA-N 2 2 346.431 2.400 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000582615392 468567169 /nfs/dbraw/zinc/56/71/69/468567169.db2.gz VNJSCDIGZHTSFY-GOEBONIOSA-N 2 2 346.431 2.400 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c2c1 ZINC000601113506 468746104 /nfs/dbraw/zinc/74/61/04/468746104.db2.gz HKFXVKFAAOZCQQ-ZWKOTPCHSA-N 2 2 342.399 2.178 20 5 EEBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000611270936 469215773 /nfs/dbraw/zinc/21/57/73/469215773.db2.gz UREYHTSPRSQEDE-GINYUPMKSA-N 2 2 344.459 2.320 20 5 EEBDLP C[N@H+]1CCC[C@H](N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000611270936 469215781 /nfs/dbraw/zinc/21/57/81/469215781.db2.gz UREYHTSPRSQEDE-GINYUPMKSA-N 2 2 344.459 2.320 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NCC1([NH3+])CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000596649033 469321333 /nfs/dbraw/zinc/32/13/33/469321333.db2.gz XFTPEPVRGPFXPI-OAHLLOKOSA-N 2 2 329.404 2.279 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420413572 1217551187 /nfs/dbraw/zinc/55/11/87/1217551187.db2.gz ZLNJXOQZDOMRRL-QGZVFWFLSA-N 2 2 332.404 2.060 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420413572 1217551190 /nfs/dbraw/zinc/55/11/90/1217551190.db2.gz ZLNJXOQZDOMRRL-QGZVFWFLSA-N 2 2 332.404 2.060 20 5 EEBDLP COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c([N+](=O)[O-])c1 ZINC001246584320 1310348571 /nfs/dbraw/zinc/34/85/71/1310348571.db2.gz IYRRXTJXXKZBHV-NILFDRSVSA-N 2 2 325.384 2.296 20 5 EEBDLP COc1ccc(C[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c([N+](=O)[O-])c1 ZINC001246584320 1310348580 /nfs/dbraw/zinc/34/85/80/1310348580.db2.gz IYRRXTJXXKZBHV-NILFDRSVSA-N 2 2 325.384 2.296 20 5 EEBDLP Cc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001157915117 1318928290 /nfs/dbraw/zinc/92/82/90/1318928290.db2.gz QAUVRDKNCGXICA-UHFFFAOYSA-N 2 2 328.376 2.045 20 5 EEBDLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001308166187 1331569307 /nfs/dbraw/zinc/56/93/07/1331569307.db2.gz IBQOGENDWJVOQV-QGZVFWFLSA-N 2 2 330.388 2.241 20 5 EEBDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022218 803588327 /nfs/dbraw/zinc/58/83/27/803588327.db2.gz QTRMHRQVIZCSEW-CABCVRRESA-N 2 2 349.479 2.329 20 5 EEBDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169022218 803588331 /nfs/dbraw/zinc/58/83/31/803588331.db2.gz QTRMHRQVIZCSEW-CABCVRRESA-N 2 2 349.479 2.329 20 5 EEBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423087508 240359418 /nfs/dbraw/zinc/35/94/18/240359418.db2.gz OIFNCSDQKOEBLW-GXFFZTMASA-N 2 2 347.337 2.470 20 5 EEBDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339009875 279109869 /nfs/dbraw/zinc/10/98/69/279109869.db2.gz LFUOHLBGOTVORK-MRXNPFEDSA-N 2 2 337.420 2.233 20 5 EEBDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339009875 279109870 /nfs/dbraw/zinc/10/98/70/279109870.db2.gz LFUOHLBGOTVORK-MRXNPFEDSA-N 2 2 337.420 2.233 20 5 EEBDLP COc1ccc(OCC[N@H+](CC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000342391636 295186022 /nfs/dbraw/zinc/18/60/22/295186022.db2.gz RZLCXZBFEYKMFB-UHFFFAOYSA-N 2 2 345.399 2.443 20 5 EEBDLP COc1ccc(OCC[N@@H+](CC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000342391636 295186023 /nfs/dbraw/zinc/18/60/23/295186023.db2.gz RZLCXZBFEYKMFB-UHFFFAOYSA-N 2 2 345.399 2.443 20 5 EEBDLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181080451 323338558 /nfs/dbraw/zinc/33/85/58/323338558.db2.gz MNJQFGAHZFLMEH-UHFFFAOYSA-N 2 2 331.376 2.142 20 5 EEBDLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181080451 323338562 /nfs/dbraw/zinc/33/85/62/323338562.db2.gz MNJQFGAHZFLMEH-UHFFFAOYSA-N 2 2 331.376 2.142 20 5 EEBDLP Cc1cc[nH+]c(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000166101016 463651631 /nfs/dbraw/zinc/65/16/31/463651631.db2.gz NZHPKEYTEHTNAH-UHFFFAOYSA-N 2 2 342.399 2.499 20 5 EEBDLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423531252 466768381 /nfs/dbraw/zinc/76/83/81/466768381.db2.gz ZSKSFJFXGYBZIW-MOPGFXCFSA-N 2 2 340.427 2.177 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420325890 467356858 /nfs/dbraw/zinc/35/68/58/467356858.db2.gz BZWGGTDHPJEKDO-WFASDCNBSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420325890 467356864 /nfs/dbraw/zinc/35/68/64/467356864.db2.gz BZWGGTDHPJEKDO-WFASDCNBSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cccc1[N+](=O)[O-] ZINC000420355091 467375253 /nfs/dbraw/zinc/37/52/53/467375253.db2.gz BQAKTULWPPVYAB-QOFRNUMZSA-N 2 2 334.420 2.206 20 5 EEBDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000591729126 468512093 /nfs/dbraw/zinc/51/20/93/468512093.db2.gz ZFNIKNOCIIQYRS-SFHVURJKSA-N 2 2 329.400 2.177 20 5 EEBDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000591729126 468512097 /nfs/dbraw/zinc/51/20/97/468512097.db2.gz ZFNIKNOCIIQYRS-SFHVURJKSA-N 2 2 329.400 2.177 20 5 EEBDLP O=[N+]([O-])c1ccn(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)n1 ZINC000595508757 468882185 /nfs/dbraw/zinc/88/21/85/468882185.db2.gz BHDKREHEDLUBKD-UHFFFAOYSA-N 2 2 329.404 2.046 20 5 EEBDLP [NH3+]C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Br)cc1 ZINC001168977422 803543675 /nfs/dbraw/zinc/54/36/75/803543675.db2.gz JRFCJXHEEGKSIL-BPNCWPANSA-N 2 2 342.237 2.484 20 5 EEBDLP [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CCC1 ZINC000414630546 313051331 /nfs/dbraw/zinc/05/13/31/313051331.db2.gz UMEIYPUQDYVAKT-UHFFFAOYSA-N 2 2 326.316 2.168 20 5 EEBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857401 463340819 /nfs/dbraw/zinc/34/08/19/463340819.db2.gz OTSZIHWGLVBZFO-KRWDZBQOSA-N 2 2 333.432 2.182 20 5 EEBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069857401 463340822 /nfs/dbraw/zinc/34/08/22/463340822.db2.gz OTSZIHWGLVBZFO-KRWDZBQOSA-N 2 2 333.432 2.182 20 5 EEBDLP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000150861802 463442522 /nfs/dbraw/zinc/44/25/22/463442522.db2.gz WTOPSYAZTOYXAQ-AWEZNQCLSA-N 2 2 347.415 2.379 20 5 EEBDLP O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000150861802 463442525 /nfs/dbraw/zinc/44/25/25/463442525.db2.gz WTOPSYAZTOYXAQ-AWEZNQCLSA-N 2 2 347.415 2.379 20 5 EEBDLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000109793026 463649597 /nfs/dbraw/zinc/64/95/97/463649597.db2.gz OETSWRIBKPCMGT-UHFFFAOYSA-N 2 2 343.387 2.457 20 5 EEBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492275270 468376755 /nfs/dbraw/zinc/37/67/55/468376755.db2.gz NMEAAEVMBOKYKI-UHFFFAOYSA-N 2 2 335.795 2.304 20 5 EEBDLP COCCC[N@H+](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268919005 463809145 /nfs/dbraw/zinc/80/91/45/463809145.db2.gz UBJRWQDODFANBJ-KRWDZBQOSA-N 2 2 335.448 2.474 20 5 EEBDLP COCCC[N@@H+](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268919005 463809148 /nfs/dbraw/zinc/80/91/48/463809148.db2.gz UBJRWQDODFANBJ-KRWDZBQOSA-N 2 2 335.448 2.474 20 5 EEBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417317853 466832084 /nfs/dbraw/zinc/83/20/84/466832084.db2.gz XNHRUVGIDKPPPI-SJLPKXTDSA-N 2 2 332.448 2.198 20 5 EEBDLP Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420271300 467333717 /nfs/dbraw/zinc/33/37/17/467333717.db2.gz HLPSRBOBRNJMCX-GXTWGEPZSA-N 2 2 327.388 2.321 20 5 EEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449386968 467635205 /nfs/dbraw/zinc/63/52/05/467635205.db2.gz KEZNQKDLPYWSMX-NVXWUHKLSA-N 2 2 335.448 2.352 20 5 EEBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449386968 467635207 /nfs/dbraw/zinc/63/52/07/467635207.db2.gz KEZNQKDLPYWSMX-NVXWUHKLSA-N 2 2 335.448 2.352 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534581012 468265323 /nfs/dbraw/zinc/26/53/23/468265323.db2.gz ZWLBAKCGLAAVHN-QWHCGFSZSA-N 2 2 343.387 2.145 20 5 EEBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534581012 468265326 /nfs/dbraw/zinc/26/53/26/468265326.db2.gz ZWLBAKCGLAAVHN-QWHCGFSZSA-N 2 2 343.387 2.145 20 5 EEBDLP Cc1c(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000591763484 468517413 /nfs/dbraw/zinc/51/74/13/468517413.db2.gz LNGBZIRQAMVGOT-GOSISDBHSA-N 2 2 343.427 2.486 20 5 EEBDLP Cc1c(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000591763484 468517418 /nfs/dbraw/zinc/51/74/18/468517418.db2.gz LNGBZIRQAMVGOT-GOSISDBHSA-N 2 2 343.427 2.486 20 5 EEBDLP C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[N@H+](C)C1CC1 ZINC000602544307 469355519 /nfs/dbraw/zinc/35/55/19/469355519.db2.gz OPMIKCSMGXJRFH-CYBMUJFWSA-N 2 2 333.436 2.031 20 5 EEBDLP C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[N@@H+](C)C1CC1 ZINC000602544307 469355521 /nfs/dbraw/zinc/35/55/21/469355521.db2.gz OPMIKCSMGXJRFH-CYBMUJFWSA-N 2 2 333.436 2.031 20 5 EEBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602567376 469364209 /nfs/dbraw/zinc/36/42/09/469364209.db2.gz CHZJXDGSLGWVQN-CXAGYDPISA-N 2 2 345.447 2.031 20 5 EEBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602567376 469364213 /nfs/dbraw/zinc/36/42/13/469364213.db2.gz CHZJXDGSLGWVQN-CXAGYDPISA-N 2 2 345.447 2.031 20 5 EEBDLP O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000738160913 578002006 /nfs/dbraw/zinc/00/20/06/578002006.db2.gz ZWWDHBYEIFEYEU-OAHLLOKOSA-N 2 2 326.360 2.436 20 5 EEBDLP O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000738160913 578002007 /nfs/dbraw/zinc/00/20/07/578002007.db2.gz ZWWDHBYEIFEYEU-OAHLLOKOSA-N 2 2 326.360 2.436 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420413571 1217551248 /nfs/dbraw/zinc/55/12/48/1217551248.db2.gz ZLNJXOQZDOMRRL-KRWDZBQOSA-N 2 2 332.404 2.060 20 5 EEBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420413571 1217551252 /nfs/dbraw/zinc/55/12/52/1217551252.db2.gz ZLNJXOQZDOMRRL-KRWDZBQOSA-N 2 2 332.404 2.060 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1F ZINC001246084595 1310234180 /nfs/dbraw/zinc/23/41/80/1310234180.db2.gz KUXBLVULAFIINN-SRVKXCTJSA-N 2 2 325.384 2.404 20 5 EEBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588736 274342829 /nfs/dbraw/zinc/34/28/29/274342829.db2.gz VHNSYPPRKAZYJN-DMRZNYOFSA-N 2 2 333.436 2.347 20 5 EEBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447588736 274342831 /nfs/dbraw/zinc/34/28/31/274342831.db2.gz VHNSYPPRKAZYJN-DMRZNYOFSA-N 2 2 333.436 2.347 20 5 EEBDLP Cn1cc[nH+]c1[C@H](NC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423217688 303004124 /nfs/dbraw/zinc/00/41/24/303004124.db2.gz UIHDJZQKXNPBBG-CZUORRHYSA-N 2 2 329.404 2.007 20 5 EEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000525171054 317042074 /nfs/dbraw/zinc/04/20/74/317042074.db2.gz PBNAGGYPGKTQJE-HNNXBMFYSA-N 2 2 338.477 2.257 20 5 EEBDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000525171054 317042078 /nfs/dbraw/zinc/04/20/78/317042078.db2.gz PBNAGGYPGKTQJE-HNNXBMFYSA-N 2 2 338.477 2.257 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281453577 464459485 /nfs/dbraw/zinc/45/94/85/464459485.db2.gz UTXAIKFXVVIVRE-AWEZNQCLSA-N 2 2 334.420 2.340 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281453577 464459491 /nfs/dbraw/zinc/45/94/91/464459491.db2.gz UTXAIKFXVVIVRE-AWEZNQCLSA-N 2 2 334.420 2.340 20 5 EEBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000177379871 465000913 /nfs/dbraw/zinc/00/09/13/465000913.db2.gz XJPSINAVYCQWTL-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000177379871 465000920 /nfs/dbraw/zinc/00/09/20/465000920.db2.gz XJPSINAVYCQWTL-UHFFFAOYSA-N 2 2 338.427 2.192 20 5 EEBDLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352488503 465532880 /nfs/dbraw/zinc/53/28/80/465532880.db2.gz QXIDWDUHXFYNGW-LBPRGKRZSA-N 2 2 340.811 2.390 20 5 EEBDLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352488503 465532883 /nfs/dbraw/zinc/53/28/83/465532883.db2.gz QXIDWDUHXFYNGW-LBPRGKRZSA-N 2 2 340.811 2.390 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423358952 466726518 /nfs/dbraw/zinc/72/65/18/466726518.db2.gz CMWWYUKRLQPDBV-IJEWVQPXSA-N 2 2 329.404 2.277 20 5 EEBDLP Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420258779 467331695 /nfs/dbraw/zinc/33/16/95/467331695.db2.gz LOQBGFMKLHKSBL-GJZGRUSLSA-N 2 2 339.399 2.406 20 5 EEBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595470855 468866325 /nfs/dbraw/zinc/86/63/25/468866325.db2.gz UAOSNNRQTLARAC-INIZCTEOSA-N 2 2 349.431 2.160 20 5 EEBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000595470855 468866330 /nfs/dbraw/zinc/86/63/30/468866330.db2.gz UAOSNNRQTLARAC-INIZCTEOSA-N 2 2 349.431 2.160 20 5 EEBDLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000573795813 469207139 /nfs/dbraw/zinc/20/71/39/469207139.db2.gz XUJYZDIHQWGTFY-CHWSQXEVSA-N 2 2 332.404 2.138 20 5 EEBDLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000573795813 469207141 /nfs/dbraw/zinc/20/71/41/469207141.db2.gz XUJYZDIHQWGTFY-CHWSQXEVSA-N 2 2 332.404 2.138 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCO2 ZINC000604532751 469488180 /nfs/dbraw/zinc/48/81/80/469488180.db2.gz BSLQCBFLPWJQES-ZIAGYGMSSA-N 2 2 333.388 2.082 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)OCCO2 ZINC000604532751 469488184 /nfs/dbraw/zinc/48/81/84/469488184.db2.gz BSLQCBFLPWJQES-ZIAGYGMSSA-N 2 2 333.388 2.082 20 5 EEBDLP Cc1cc[nH+]c(N2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000776276149 577456383 /nfs/dbraw/zinc/45/63/83/577456383.db2.gz HEKORJMXTOPUBC-KRWDZBQOSA-N 2 2 342.399 2.154 20 5 EEBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902489529 1237704073 /nfs/dbraw/zinc/70/40/73/1237704073.db2.gz QVQKDDOONDJTTE-ZFWWWQNUSA-N 2 2 334.420 2.434 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579734122 1344411068 /nfs/dbraw/zinc/41/10/68/1344411068.db2.gz OOKWHSWGZVKGFC-KBXCAEBGSA-N 2 2 346.431 2.293 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 ZINC001579734122 1344411070 /nfs/dbraw/zinc/41/10/70/1344411070.db2.gz OOKWHSWGZVKGFC-KBXCAEBGSA-N 2 2 346.431 2.293 20 5 EEBDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000173512916 765574300 /nfs/dbraw/zinc/57/43/00/765574300.db2.gz LZAUWJOEXDEVDR-UHFFFAOYSA-N 2 2 344.419 2.382 20 5 EEBDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000173512916 765574310 /nfs/dbraw/zinc/57/43/10/765574310.db2.gz LZAUWJOEXDEVDR-UHFFFAOYSA-N 2 2 344.419 2.382 20 5 EEBDLP COc1cc(C[NH2+]C2CC([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000906511124 783957346 /nfs/dbraw/zinc/95/73/46/783957346.db2.gz SWCSPRBUVQKXDM-UHFFFAOYSA-N 2 2 349.309 2.124 20 5 EEBDLP COc1cc(N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)cc[nH+]1 ZINC001169054995 803597127 /nfs/dbraw/zinc/59/71/27/803597127.db2.gz OXRYBAXEQOQZAS-UKRRQHHQSA-N 2 2 334.420 2.094 20 5 EEBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000577854485 320280198 /nfs/dbraw/zinc/28/01/98/320280198.db2.gz OKYZSKFOLAMPBT-AWEZNQCLSA-N 2 2 333.432 2.482 20 5 EEBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]12 ZINC000346830807 466184025 /nfs/dbraw/zinc/18/40/25/466184025.db2.gz PDPSBJNKFLYSQF-OASPWFOLSA-N 2 2 327.331 2.365 20 5 EEBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]12 ZINC000346830807 466184033 /nfs/dbraw/zinc/18/40/33/466184033.db2.gz PDPSBJNKFLYSQF-OASPWFOLSA-N 2 2 327.331 2.365 20 5 EEBDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000358144918 466493488 /nfs/dbraw/zinc/49/34/88/466493488.db2.gz VCRWNEBCECUXNT-QGZVFWFLSA-N 2 2 331.372 2.011 20 5 EEBDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000358144918 466493497 /nfs/dbraw/zinc/49/34/97/466493497.db2.gz VCRWNEBCECUXNT-QGZVFWFLSA-N 2 2 331.372 2.011 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368484371 466647035 /nfs/dbraw/zinc/64/70/35/466647035.db2.gz SKCOFWQPHXAJQZ-COXVUDFISA-N 2 2 337.395 2.417 20 5 EEBDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368484371 466647039 /nfs/dbraw/zinc/64/70/39/466647039.db2.gz SKCOFWQPHXAJQZ-COXVUDFISA-N 2 2 337.395 2.417 20 5 EEBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420373930 467383254 /nfs/dbraw/zinc/38/32/54/467383254.db2.gz ZPJRXFLWBAHYGO-ZDUSSCGKSA-N 2 2 331.376 2.123 20 5 EEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430575004 467444464 /nfs/dbraw/zinc/44/44/64/467444464.db2.gz UIOYGDCLKOZNDD-YPMHNXCESA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000430575004 467444472 /nfs/dbraw/zinc/44/44/72/467444472.db2.gz UIOYGDCLKOZNDD-YPMHNXCESA-N 2 2 331.376 2.204 20 5 EEBDLP C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435624960 467482760 /nfs/dbraw/zinc/48/27/60/467482760.db2.gz YXODKPQBALFNEG-LBPRGKRZSA-N 2 2 340.811 2.261 20 5 EEBDLP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435624960 467482763 /nfs/dbraw/zinc/48/27/63/467482763.db2.gz YXODKPQBALFNEG-LBPRGKRZSA-N 2 2 340.811 2.261 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600726521 468637081 /nfs/dbraw/zinc/63/70/81/468637081.db2.gz LTEKHGGTZTUORR-BXUZGUMPSA-N 2 2 347.337 2.433 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600726521 468637090 /nfs/dbraw/zinc/63/70/90/468637090.db2.gz LTEKHGGTZTUORR-BXUZGUMPSA-N 2 2 347.337 2.433 20 5 EEBDLP CC[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1[NH3+] ZINC000592488753 468709997 /nfs/dbraw/zinc/70/99/97/468709997.db2.gz NFHPAGTVOSLCFD-BXUZGUMPSA-N 2 2 331.376 2.204 20 5 EEBDLP CC[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@H]1[NH3+] ZINC000592488753 468709999 /nfs/dbraw/zinc/70/99/99/468709999.db2.gz NFHPAGTVOSLCFD-BXUZGUMPSA-N 2 2 331.376 2.204 20 5 EEBDLP CCCC[N@H+](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564854 469362320 /nfs/dbraw/zinc/36/23/20/469362320.db2.gz PKWRBFSOQNOUGX-UHFFFAOYSA-N 2 2 335.452 2.280 20 5 EEBDLP CCCC[N@@H+](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564854 469362326 /nfs/dbraw/zinc/36/23/26/469362326.db2.gz PKWRBFSOQNOUGX-UHFFFAOYSA-N 2 2 335.452 2.280 20 5 EEBDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532707 469487759 /nfs/dbraw/zinc/48/77/59/469487759.db2.gz VGNSFXBZFWMCNH-CYBMUJFWSA-N 2 2 335.404 2.186 20 5 EEBDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604532707 469487763 /nfs/dbraw/zinc/48/77/63/469487763.db2.gz VGNSFXBZFWMCNH-CYBMUJFWSA-N 2 2 335.404 2.186 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157370 469897255 /nfs/dbraw/zinc/89/72/55/469897255.db2.gz GSUDEEZRZBQDAW-BBRMVZONSA-N 2 2 343.387 2.455 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157370 469897261 /nfs/dbraw/zinc/89/72/61/469897261.db2.gz GSUDEEZRZBQDAW-BBRMVZONSA-N 2 2 343.387 2.455 20 5 EEBDLP C[N@H+](CCCn1cc[nH+]c1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000767755985 577544136 /nfs/dbraw/zinc/54/41/36/577544136.db2.gz PYYYPZMPMLPZMK-UHFFFAOYSA-N 2 2 341.375 2.029 20 5 EEBDLP C[N@@H+](CCCn1cc[nH+]c1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000767755985 577544137 /nfs/dbraw/zinc/54/41/37/577544137.db2.gz PYYYPZMPMLPZMK-UHFFFAOYSA-N 2 2 341.375 2.029 20 5 EEBDLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000129273420 1201769164 /nfs/dbraw/zinc/76/91/64/1201769164.db2.gz WPKHVQAGCLCTIG-CJNGLKHVSA-N 2 2 329.404 2.318 20 5 EEBDLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000129273420 1201769166 /nfs/dbraw/zinc/76/91/66/1201769166.db2.gz WPKHVQAGCLCTIG-CJNGLKHVSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000129273420 1201769169 /nfs/dbraw/zinc/76/91/69/1201769169.db2.gz WPKHVQAGCLCTIG-CJNGLKHVSA-N 2 2 329.404 2.318 20 5 EEBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000129273420 1201769171 /nfs/dbraw/zinc/76/91/71/1201769171.db2.gz WPKHVQAGCLCTIG-CJNGLKHVSA-N 2 2 329.404 2.318 20 5 EEBDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850558866 1277267238 /nfs/dbraw/zinc/26/72/38/1277267238.db2.gz UXOYHZIJMIIFIS-WFASDCNBSA-N 2 2 334.420 2.081 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1F ZINC001246089373 1310232973 /nfs/dbraw/zinc/23/29/73/1310232973.db2.gz DLBJAPYMTGDUFI-RYUDHWBXSA-N 2 2 325.384 2.405 20 5 EEBDLP Cc1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000153853507 224166484 /nfs/dbraw/zinc/16/64/84/224166484.db2.gz HFHCHGHBWFXSOM-UHFFFAOYSA-N 2 2 349.435 2.051 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247335974 160320439 /nfs/dbraw/zinc/32/04/39/160320439.db2.gz XGCITRUAKORYSF-JKIFEVAISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247335974 160320441 /nfs/dbraw/zinc/32/04/41/160320441.db2.gz XGCITRUAKORYSF-JKIFEVAISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247335974 160320442 /nfs/dbraw/zinc/32/04/42/160320442.db2.gz XGCITRUAKORYSF-JKIFEVAISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247335974 160320443 /nfs/dbraw/zinc/32/04/43/160320443.db2.gz XGCITRUAKORYSF-JKIFEVAISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247335986 160320749 /nfs/dbraw/zinc/32/07/49/160320749.db2.gz XGCITRUAKORYSF-KEYYUXOJSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247335986 160320750 /nfs/dbraw/zinc/32/07/50/160320750.db2.gz XGCITRUAKORYSF-KEYYUXOJSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247335986 160320752 /nfs/dbraw/zinc/32/07/52/160320752.db2.gz XGCITRUAKORYSF-KEYYUXOJSA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247335986 160320754 /nfs/dbraw/zinc/32/07/54/160320754.db2.gz XGCITRUAKORYSF-KEYYUXOJSA-N 2 2 346.431 2.338 20 5 EEBDLP Cc1c(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000069803482 463327499 /nfs/dbraw/zinc/32/74/99/463327499.db2.gz GWWZQGKMNZJTBU-MRXNPFEDSA-N 2 2 333.432 2.447 20 5 EEBDLP Cc1c(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000069803482 463327503 /nfs/dbraw/zinc/32/75/03/463327503.db2.gz GWWZQGKMNZJTBU-MRXNPFEDSA-N 2 2 333.432 2.447 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CC[NH2+]C3(CCC3)C1)OCCO2 ZINC000591282652 468438317 /nfs/dbraw/zinc/43/83/17/468438317.db2.gz KTWWZHBISOEPJL-ZDUSSCGKSA-N 2 2 333.388 2.130 20 5 EEBDLP CC(C)[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353495559 465929675 /nfs/dbraw/zinc/92/96/75/465929675.db2.gz IPKQGFLLGDHRJR-INIZCTEOSA-N 2 2 331.420 2.348 20 5 EEBDLP CC(C)[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353495559 465929686 /nfs/dbraw/zinc/92/96/86/465929686.db2.gz IPKQGFLLGDHRJR-INIZCTEOSA-N 2 2 331.420 2.348 20 5 EEBDLP Cc1cc(NCC2([NH+](C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000419012133 467161398 /nfs/dbraw/zinc/16/13/98/467161398.db2.gz VKVFHQSRIPTFIH-UHFFFAOYSA-N 2 2 327.388 2.288 20 5 EEBDLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000420355409 467375079 /nfs/dbraw/zinc/37/50/79/467375079.db2.gz DYKHEJDNNUUFFR-ZDUSSCGKSA-N 2 2 331.376 2.123 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000533861532 468226398 /nfs/dbraw/zinc/22/63/98/468226398.db2.gz VCHDDWJDTCFEPQ-LBPRGKRZSA-N 2 2 344.371 2.184 20 5 EEBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000533861532 468226404 /nfs/dbraw/zinc/22/64/04/468226404.db2.gz VCHDDWJDTCFEPQ-LBPRGKRZSA-N 2 2 344.371 2.184 20 5 EEBDLP C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CC(C)(C)O ZINC000601151257 468762549 /nfs/dbraw/zinc/76/25/49/468762549.db2.gz UUNHYMFILLMOLX-ZDUSSCGKSA-N 2 2 344.415 2.424 20 5 EEBDLP C[C@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1CC(C)(C)O ZINC000601151257 468762552 /nfs/dbraw/zinc/76/25/52/468762552.db2.gz UUNHYMFILLMOLX-ZDUSSCGKSA-N 2 2 344.415 2.424 20 5 EEBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000619054892 469512040 /nfs/dbraw/zinc/51/20/40/469512040.db2.gz XBCDROJKKUGSJH-UHFFFAOYSA-N 2 2 344.419 2.241 20 5 EEBDLP Cc1nn(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954900 577984623 /nfs/dbraw/zinc/98/46/23/577984623.db2.gz PNTWXQVOTJBMAP-CQSZACIVSA-N 2 2 344.419 2.023 20 5 EEBDLP Cc1nn(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749954900 577984624 /nfs/dbraw/zinc/98/46/24/577984624.db2.gz PNTWXQVOTJBMAP-CQSZACIVSA-N 2 2 344.419 2.023 20 5 EEBDLP COc1c(O)ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000894475287 682918026 /nfs/dbraw/zinc/91/80/26/682918026.db2.gz AZWCSOKIHWQJQC-UHFFFAOYSA-N 2 2 334.376 2.336 20 5 EEBDLP COc1c(O)ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000894475287 682918028 /nfs/dbraw/zinc/91/80/28/682918028.db2.gz AZWCSOKIHWQJQC-UHFFFAOYSA-N 2 2 334.376 2.336 20 5 EEBDLP C[NH+]1CCN(c2ccc3[nH]c(CCC(C)(C)[N+](=O)[O-])[nH+]c3c2)CC1 ZINC001250594143 1317277721 /nfs/dbraw/zinc/27/77/21/1317277721.db2.gz ZNGZLNAHEXPXLG-UHFFFAOYSA-N 2 2 331.420 2.303 20 5 EEBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000817906897 785061488 /nfs/dbraw/zinc/06/14/88/785061488.db2.gz GIYHTDPKIPSNEX-FVQBIDKESA-N 2 2 339.823 2.495 20 5 EEBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C[NH3+] ZINC000422632000 240166384 /nfs/dbraw/zinc/16/63/84/240166384.db2.gz GEOHEYPWZHQTHQ-DYEKYZERSA-N 2 2 345.403 2.450 20 5 EEBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C[NH3+] ZINC000422632000 240166390 /nfs/dbraw/zinc/16/63/90/240166390.db2.gz GEOHEYPWZHQTHQ-DYEKYZERSA-N 2 2 345.403 2.450 20 5 EEBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C[NH3+] ZINC000422631999 240167302 /nfs/dbraw/zinc/16/73/02/240167302.db2.gz GEOHEYPWZHQTHQ-BZPMIXESSA-N 2 2 345.403 2.450 20 5 EEBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C[NH3+] ZINC000422631999 240167307 /nfs/dbraw/zinc/16/73/07/240167307.db2.gz GEOHEYPWZHQTHQ-BZPMIXESSA-N 2 2 345.403 2.450 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353625072 466019266 /nfs/dbraw/zinc/01/92/66/466019266.db2.gz VKAWZHQRHCONBM-QGZVFWFLSA-N 2 2 341.415 2.269 20 5 EEBDLP Cn1ccnc1[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353625072 466019271 /nfs/dbraw/zinc/01/92/71/466019271.db2.gz VKAWZHQRHCONBM-QGZVFWFLSA-N 2 2 341.415 2.269 20 5 EEBDLP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362080231 466539790 /nfs/dbraw/zinc/53/97/90/466539790.db2.gz RJXKBXDMBGOKQG-CRAIPNDOSA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362080231 466539797 /nfs/dbraw/zinc/53/97/97/466539797.db2.gz RJXKBXDMBGOKQG-CRAIPNDOSA-N 2 2 332.448 2.053 20 5 EEBDLP C[C@@H]1C[C@@H](N[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000423377150 466732173 /nfs/dbraw/zinc/73/21/73/466732173.db2.gz JXNBMIRZQLACMM-INWMFGNUSA-N 2 2 329.404 2.148 20 5 EEBDLP CCOc1ccc([C@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423416444 466743958 /nfs/dbraw/zinc/74/39/58/466743958.db2.gz QNELANWWUSJKKL-GUYCJALGSA-N 2 2 337.420 2.413 20 5 EEBDLP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420317986 467354027 /nfs/dbraw/zinc/35/40/27/467354027.db2.gz VGEPQIAHYKJJQN-NSHDSACASA-N 2 2 340.811 2.248 20 5 EEBDLP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420317986 467354028 /nfs/dbraw/zinc/35/40/28/467354028.db2.gz VGEPQIAHYKJJQN-NSHDSACASA-N 2 2 340.811 2.248 20 5 EEBDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420357954 467376450 /nfs/dbraw/zinc/37/64/50/467376450.db2.gz DYUKXELXBRZJKL-FTGAXOIBSA-N 2 2 340.811 2.163 20 5 EEBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)s1 ZINC000415095319 467488025 /nfs/dbraw/zinc/48/80/25/467488025.db2.gz LXRCOQPIDBAVQL-GFCCVEGCSA-N 2 2 333.413 2.401 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000514869519 467960193 /nfs/dbraw/zinc/96/01/93/467960193.db2.gz ATBJUSIYUDXBPL-CYBMUJFWSA-N 2 2 343.387 2.146 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000514869519 467960196 /nfs/dbraw/zinc/96/01/96/467960196.db2.gz ATBJUSIYUDXBPL-CYBMUJFWSA-N 2 2 343.387 2.146 20 5 EEBDLP COc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c([N+](=O)[O-])cc1OC ZINC000593318609 468937124 /nfs/dbraw/zinc/93/71/24/468937124.db2.gz QCRUXFGTOMEVAZ-UHFFFAOYSA-N 2 2 349.362 2.500 20 5 EEBDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609386393 469924303 /nfs/dbraw/zinc/92/43/03/469924303.db2.gz RKLWNZRFHMUKDZ-OAHLLOKOSA-N 2 2 334.420 2.386 20 5 EEBDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000609386393 469924308 /nfs/dbraw/zinc/92/43/08/469924308.db2.gz RKLWNZRFHMUKDZ-OAHLLOKOSA-N 2 2 334.420 2.386 20 5 EEBDLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]2C1 ZINC000931432082 1207377876 /nfs/dbraw/zinc/37/78/76/1207377876.db2.gz HSCATTLPFQQYTL-KGLIPLIRSA-N 2 2 343.387 2.028 20 5 EEBDLP C[N@H+]1CC[C@@H]2C[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]2C1 ZINC000931432082 1207377879 /nfs/dbraw/zinc/37/78/79/1207377879.db2.gz HSCATTLPFQQYTL-KGLIPLIRSA-N 2 2 343.387 2.028 20 5 EEBDLP C[NH+]1CC[C@@H]2C[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]2C1 ZINC000931432082 1207377881 /nfs/dbraw/zinc/37/78/81/1207377881.db2.gz HSCATTLPFQQYTL-KGLIPLIRSA-N 2 2 343.387 2.028 20 5 EEBDLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]2C1 ZINC000931432082 1207377885 /nfs/dbraw/zinc/37/78/85/1207377885.db2.gz HSCATTLPFQQYTL-KGLIPLIRSA-N 2 2 343.387 2.028 20 5 EEBDLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000818340442 785246255 /nfs/dbraw/zinc/24/62/55/785246255.db2.gz MNWGOFXGCALGIW-OASPWFOLSA-N 2 2 340.811 2.435 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000786813874 806910146 /nfs/dbraw/zinc/91/01/46/806910146.db2.gz NIXVOZQDYNPIPH-MLCXVWHNSA-N 2 2 331.416 2.451 20 5 EEBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000786813874 806910150 /nfs/dbraw/zinc/91/01/50/806910150.db2.gz NIXVOZQDYNPIPH-MLCXVWHNSA-N 2 2 331.416 2.451 20 5 EEBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423038097 240339839 /nfs/dbraw/zinc/33/98/39/240339839.db2.gz CNMGYTNWWOOTQF-BXUZGUMPSA-N 2 2 327.812 2.147 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000574819386 320060012 /nfs/dbraw/zinc/06/00/12/320060012.db2.gz BVKXNOZCICNLFV-ZDUSSCGKSA-N 2 2 343.387 2.065 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000574819386 320060013 /nfs/dbraw/zinc/06/00/13/320060013.db2.gz BVKXNOZCICNLFV-ZDUSSCGKSA-N 2 2 343.387 2.065 20 5 EEBDLP C[N@H+](CCCO)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093394744 463035608 /nfs/dbraw/zinc/03/56/08/463035608.db2.gz IOPYEQCYKXJQIS-QPJJXVBHSA-N 2 2 333.432 2.387 20 5 EEBDLP C[N@@H+](CCCO)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093394744 463035612 /nfs/dbraw/zinc/03/56/12/463035612.db2.gz IOPYEQCYKXJQIS-QPJJXVBHSA-N 2 2 333.432 2.387 20 5 EEBDLP CN(c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000069810873 463330847 /nfs/dbraw/zinc/33/08/47/463330847.db2.gz OPVKDXRGCLTVMI-HNNXBMFYSA-N 2 2 336.411 2.339 20 5 EEBDLP CN(c1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000069810873 463330852 /nfs/dbraw/zinc/33/08/52/463330852.db2.gz OPVKDXRGCLTVMI-HNNXBMFYSA-N 2 2 336.411 2.339 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152381692 463682453 /nfs/dbraw/zinc/68/24/53/463682453.db2.gz MHZNLSFFNYPXKD-AWEZNQCLSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152381692 463682456 /nfs/dbraw/zinc/68/24/56/463682456.db2.gz MHZNLSFFNYPXKD-AWEZNQCLSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152381692 463682457 /nfs/dbraw/zinc/68/24/57/463682457.db2.gz MHZNLSFFNYPXKD-AWEZNQCLSA-N 2 2 334.420 2.115 20 5 EEBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152381692 463682458 /nfs/dbraw/zinc/68/24/58/463682458.db2.gz MHZNLSFFNYPXKD-AWEZNQCLSA-N 2 2 334.420 2.115 20 5 EEBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278957825 464016197 /nfs/dbraw/zinc/01/61/97/464016197.db2.gz BBSIMBKZIXSFIV-RHSMWYFYSA-N 2 2 332.448 2.153 20 5 EEBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278957825 464016200 /nfs/dbraw/zinc/01/62/00/464016200.db2.gz BBSIMBKZIXSFIV-RHSMWYFYSA-N 2 2 332.448 2.153 20 5 EEBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)nc1 ZINC000180344350 464291637 /nfs/dbraw/zinc/29/16/37/464291637.db2.gz IAPQARBFBSIJOB-CYBMUJFWSA-N 2 2 338.371 2.324 20 5 EEBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)nc1 ZINC000180344350 464291644 /nfs/dbraw/zinc/29/16/44/464291644.db2.gz IAPQARBFBSIJOB-CYBMUJFWSA-N 2 2 338.371 2.324 20 5 EEBDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900512 464864875 /nfs/dbraw/zinc/86/48/75/464864875.db2.gz UBFNXMLQVGSEHZ-WMLDXEAASA-N 2 2 348.447 2.188 20 5 EEBDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266900512 464864879 /nfs/dbraw/zinc/86/48/79/464864879.db2.gz UBFNXMLQVGSEHZ-WMLDXEAASA-N 2 2 348.447 2.188 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382966 467465163 /nfs/dbraw/zinc/46/51/63/467465163.db2.gz FZTUWUHLUUQRSR-JTQLQIEISA-N 2 2 345.346 2.028 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382966 467465165 /nfs/dbraw/zinc/46/51/65/467465165.db2.gz FZTUWUHLUUQRSR-JTQLQIEISA-N 2 2 345.346 2.028 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593733370 469115245 /nfs/dbraw/zinc/11/52/45/469115245.db2.gz MAHXAYQZCPKJLO-OCCSQVGLSA-N 2 2 334.420 2.291 20 5 EEBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593733370 469115246 /nfs/dbraw/zinc/11/52/46/469115246.db2.gz MAHXAYQZCPKJLO-OCCSQVGLSA-N 2 2 334.420 2.291 20 5 EEBDLP CC1(C)CC[N@H+](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000905677939 1189862432 /nfs/dbraw/zinc/86/24/32/1189862432.db2.gz HILFEOUDDLIDEX-UHFFFAOYSA-N 2 2 334.420 2.245 20 5 EEBDLP CC1(C)CC[N@@H+](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000905677939 1189862436 /nfs/dbraw/zinc/86/24/36/1189862436.db2.gz HILFEOUDDLIDEX-UHFFFAOYSA-N 2 2 334.420 2.245 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1F ZINC001246566254 1310345098 /nfs/dbraw/zinc/34/50/98/1310345098.db2.gz FMNIZNRNIKTIAU-DRZSPHRISA-N 2 2 343.374 2.435 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1F ZINC001246566254 1310345104 /nfs/dbraw/zinc/34/51/04/1310345104.db2.gz FMNIZNRNIKTIAU-DRZSPHRISA-N 2 2 343.374 2.435 20 5 EEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346149 1315895475 /nfs/dbraw/zinc/89/54/75/1315895475.db2.gz MGDNOHFKXATMNK-NHYWBVRUSA-N 2 2 338.383 2.264 20 5 EEBDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843346149 1315895479 /nfs/dbraw/zinc/89/54/79/1315895479.db2.gz MGDNOHFKXATMNK-NHYWBVRUSA-N 2 2 338.383 2.264 20 5 EEBDLP Cc1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000175056903 231377289 /nfs/dbraw/zinc/37/72/89/231377289.db2.gz PFFCLYKNRQSFTA-UHFFFAOYSA-N 2 2 349.435 2.051 20 5 EEBDLP C[C@@H]1[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000447803876 242317802 /nfs/dbraw/zinc/31/78/02/242317802.db2.gz CGYJVQSENZEGOF-ZBFHGGJFSA-N 2 2 348.447 2.322 20 5 EEBDLP C[C@@H]1[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000447803876 242317804 /nfs/dbraw/zinc/31/78/04/242317804.db2.gz CGYJVQSENZEGOF-ZBFHGGJFSA-N 2 2 348.447 2.322 20 5 EEBDLP CCCN(CC[NH+](C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000104530740 159287786 /nfs/dbraw/zinc/28/77/86/159287786.db2.gz ITKYTZJXXKWRLI-UHFFFAOYSA-N 2 2 345.403 2.194 20 5 EEBDLP CC(C)[NH2+]CCCN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000578004895 320288261 /nfs/dbraw/zinc/28/82/61/320288261.db2.gz HGAWKGLVHXSQTA-MRXNPFEDSA-N 2 2 331.420 2.395 20 5 EEBDLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000292686435 464308733 /nfs/dbraw/zinc/30/87/33/464308733.db2.gz BCALWLAPJWBJKS-QGZVFWFLSA-N 2 2 335.404 2.140 20 5 EEBDLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000292686435 464308736 /nfs/dbraw/zinc/30/87/36/464308736.db2.gz BCALWLAPJWBJKS-QGZVFWFLSA-N 2 2 335.404 2.140 20 5 EEBDLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000292686435 464308737 /nfs/dbraw/zinc/30/87/37/464308737.db2.gz BCALWLAPJWBJKS-QGZVFWFLSA-N 2 2 335.404 2.140 20 5 EEBDLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])cc1OC ZINC000292686435 464308739 /nfs/dbraw/zinc/30/87/39/464308739.db2.gz BCALWLAPJWBJKS-QGZVFWFLSA-N 2 2 335.404 2.140 20 5 EEBDLP COc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000591282856 468438046 /nfs/dbraw/zinc/43/80/46/468438046.db2.gz UXWQPRUDEMJLIT-ZDUSSCGKSA-N 2 2 335.404 2.376 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000420324219 467355838 /nfs/dbraw/zinc/35/58/38/467355838.db2.gz HCEFEIDERQRRKL-CYBMUJFWSA-N 2 2 339.823 2.436 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000420324219 467355843 /nfs/dbraw/zinc/35/58/43/467355843.db2.gz HCEFEIDERQRRKL-CYBMUJFWSA-N 2 2 339.823 2.436 20 5 EEBDLP Cc1c(NC(=O)CC[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000435243889 467454198 /nfs/dbraw/zinc/45/41/98/467454198.db2.gz AYADIZNMYGCIAQ-AWEZNQCLSA-N 2 2 332.404 2.058 20 5 EEBDLP Cc1c(NC(=O)CC[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000435243889 467454200 /nfs/dbraw/zinc/45/42/00/467454200.db2.gz AYADIZNMYGCIAQ-AWEZNQCLSA-N 2 2 332.404 2.058 20 5 EEBDLP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448977095 467609993 /nfs/dbraw/zinc/60/99/93/467609993.db2.gz QNSPKLLQADVTGK-CYBMUJFWSA-N 2 2 345.403 2.241 20 5 EEBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000619531686 469633208 /nfs/dbraw/zinc/63/32/08/469633208.db2.gz WTINNJYERJFWAA-UHFFFAOYSA-N 2 2 328.372 2.321 20 5 EEBDLP COCC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761523126 577685385 /nfs/dbraw/zinc/68/53/85/577685385.db2.gz RXXPYIUDQKISNN-UHFFFAOYSA-N 2 2 327.812 2.449 20 5 EEBDLP Cc1nn(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000755791764 577831594 /nfs/dbraw/zinc/83/15/94/577831594.db2.gz SFVSLARTPJNJRT-CYBMUJFWSA-N 2 2 340.387 2.433 20 5 EEBDLP Cc1nn(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000755791764 577831595 /nfs/dbraw/zinc/83/15/95/577831595.db2.gz SFVSLARTPJNJRT-CYBMUJFWSA-N 2 2 340.387 2.433 20 5 EEBDLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173227542 797311904 /nfs/dbraw/zinc/31/19/04/797311904.db2.gz PMSKZIBVYSPJMU-UWWQBHOKSA-N 2 2 333.432 2.178 20 5 EEBDLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173227542 797311912 /nfs/dbraw/zinc/31/19/12/797311912.db2.gz PMSKZIBVYSPJMU-UWWQBHOKSA-N 2 2 333.432 2.178 20 5 EEBDLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173227542 797311919 /nfs/dbraw/zinc/31/19/19/797311919.db2.gz PMSKZIBVYSPJMU-UWWQBHOKSA-N 2 2 333.432 2.178 20 5 EEBDLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173227542 797311923 /nfs/dbraw/zinc/31/19/23/797311923.db2.gz PMSKZIBVYSPJMU-UWWQBHOKSA-N 2 2 333.432 2.178 20 5 EEBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[NH+]1CCCCC1 ZINC000447813814 242319066 /nfs/dbraw/zinc/31/90/66/242319066.db2.gz URCCWARMYYPZEQ-UHFFFAOYSA-N 2 2 348.447 2.325 20 5 EEBDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@@H+]1C ZINC000123814136 222335511 /nfs/dbraw/zinc/33/55/11/222335511.db2.gz TWKOSXUQVNSSIM-DOMZBBRYSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1C ZINC000123814136 222335515 /nfs/dbraw/zinc/33/55/15/222335515.db2.gz TWKOSXUQVNSSIM-DOMZBBRYSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[NH+]1C ZINC000123814136 222335518 /nfs/dbraw/zinc/33/55/18/222335518.db2.gz TWKOSXUQVNSSIM-DOMZBBRYSA-N 2 2 335.404 2.376 20 5 EEBDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[NH+]1C ZINC000123814136 222335521 /nfs/dbraw/zinc/33/55/21/222335521.db2.gz TWKOSXUQVNSSIM-DOMZBBRYSA-N 2 2 335.404 2.376 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000338696233 274118439 /nfs/dbraw/zinc/11/84/39/274118439.db2.gz YEXLWEIRUWAARD-AWEZNQCLSA-N 2 2 348.447 2.208 20 5 EEBDLP COc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000338696233 274118440 /nfs/dbraw/zinc/11/84/40/274118440.db2.gz YEXLWEIRUWAARD-AWEZNQCLSA-N 2 2 348.447 2.208 20 5 EEBDLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271847767 274158961 /nfs/dbraw/zinc/15/89/61/274158961.db2.gz VILSJBDRCQUORU-UHFFFAOYSA-N 2 2 349.431 2.145 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000365489596 275038442 /nfs/dbraw/zinc/03/84/42/275038442.db2.gz FWUVIUBWTDCMCY-SOLBZPMBSA-N 2 2 331.416 2.425 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCC2 ZINC000365489596 275038443 /nfs/dbraw/zinc/03/84/43/275038443.db2.gz FWUVIUBWTDCMCY-SOLBZPMBSA-N 2 2 331.416 2.425 20 5 EEBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423038100 278294346 /nfs/dbraw/zinc/29/43/46/278294346.db2.gz CNMGYTNWWOOTQF-SMDDNHRTSA-N 2 2 327.812 2.147 20 5 EEBDLP COc1cc(C[N@H+](C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000414765299 313080551 /nfs/dbraw/zinc/08/05/51/313080551.db2.gz BPIZARHKFPIJMH-UHFFFAOYSA-N 2 2 331.319 2.126 20 5 EEBDLP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000414765299 313080555 /nfs/dbraw/zinc/08/05/55/313080555.db2.gz BPIZARHKFPIJMH-UHFFFAOYSA-N 2 2 331.319 2.126 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140000025 463334775 /nfs/dbraw/zinc/33/47/75/463334775.db2.gz MTFYVIBNGJBYCB-JJRVBVJISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140000025 463334778 /nfs/dbraw/zinc/33/47/78/463334778.db2.gz MTFYVIBNGJBYCB-JJRVBVJISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140000025 463334780 /nfs/dbraw/zinc/33/47/80/463334780.db2.gz MTFYVIBNGJBYCB-JJRVBVJISA-N 2 2 346.431 2.338 20 5 EEBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000140000025 463334786 /nfs/dbraw/zinc/33/47/86/463334786.db2.gz MTFYVIBNGJBYCB-JJRVBVJISA-N 2 2 346.431 2.338 20 5 EEBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]12 ZINC000346830815 466183093 /nfs/dbraw/zinc/18/30/93/466183093.db2.gz PDPSBJNKFLYSQF-ZWKOPEQDSA-N 2 2 327.331 2.365 20 5 EEBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]12 ZINC000346830815 466183098 /nfs/dbraw/zinc/18/30/98/466183098.db2.gz PDPSBJNKFLYSQF-ZWKOPEQDSA-N 2 2 327.331 2.365 20 5 EEBDLP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370709878 466974724 /nfs/dbraw/zinc/97/47/24/466974724.db2.gz RVTGAQBOCIGCGN-SJLPKXTDSA-N 2 2 346.475 2.361 20 5 EEBDLP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000370709878 466974729 /nfs/dbraw/zinc/97/47/29/466974729.db2.gz RVTGAQBOCIGCGN-SJLPKXTDSA-N 2 2 346.475 2.361 20 5 EEBDLP C[N@H+](CCCO)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413148710 467179105 /nfs/dbraw/zinc/17/91/05/467179105.db2.gz YNPQXSIAUANFOE-UHFFFAOYSA-N 2 2 344.415 2.426 20 5 EEBDLP C[N@@H+](CCCO)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413148710 467179108 /nfs/dbraw/zinc/17/91/08/467179108.db2.gz YNPQXSIAUANFOE-UHFFFAOYSA-N 2 2 344.415 2.426 20 5 EEBDLP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420258778 467331935 /nfs/dbraw/zinc/33/19/35/467331935.db2.gz LOQBGFMKLHKSBL-CABCVRRESA-N 2 2 339.399 2.406 20 5 EEBDLP C[NH+](C)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602628787 468975711 /nfs/dbraw/zinc/97/57/11/468975711.db2.gz LEFUBBCORLUEKU-UHFFFAOYSA-N 2 2 333.436 2.033 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000611273636 469217102 /nfs/dbraw/zinc/21/71/02/469217102.db2.gz XAQMCLMTMHJHJM-AWEZNQCLSA-N 2 2 347.415 2.284 20 5 EEBDLP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000611273636 469217108 /nfs/dbraw/zinc/21/71/08/469217108.db2.gz XAQMCLMTMHJHJM-AWEZNQCLSA-N 2 2 347.415 2.284 20 5 EEBDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000843124808 1315848475 /nfs/dbraw/zinc/84/84/75/1315848475.db2.gz HIDWDQOJVIVCRQ-ZDUSSCGKSA-N 2 2 339.823 2.436 20 5 EEBDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000843124808 1315848478 /nfs/dbraw/zinc/84/84/78/1315848478.db2.gz HIDWDQOJVIVCRQ-ZDUSSCGKSA-N 2 2 339.823 2.436 20 5 EEBDLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000843367321 1315901750 /nfs/dbraw/zinc/90/17/50/1315901750.db2.gz FSHCTKBIPQWZRX-VIFPVBQESA-N 2 2 326.784 2.046 20 5 EEBDLP Cc1ccc2c(ccnc2NC(=[NH2+])N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001168735269 801936000 /nfs/dbraw/zinc/93/60/00/801936000.db2.gz LDBYIPZGQIVCOD-UHFFFAOYSA-N 2 2 328.376 2.045 20 5 EEBDLP NC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000072718747 216298018 /nfs/dbraw/zinc/29/80/18/216298018.db2.gz DGMKWALKQHLVNN-CQSZACIVSA-N 2 2 346.431 2.002 20 5 EEBDLP NC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000072718747 216298020 /nfs/dbraw/zinc/29/80/20/216298020.db2.gz DGMKWALKQHLVNN-CQSZACIVSA-N 2 2 346.431 2.002 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427137095 241381419 /nfs/dbraw/zinc/38/14/19/241381419.db2.gz QXVQLFNXPQNTRN-ZWNOBZJWSA-N 2 2 327.331 2.380 20 5 EEBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427137095 241381423 /nfs/dbraw/zinc/38/14/23/241381423.db2.gz QXVQLFNXPQNTRN-ZWNOBZJWSA-N 2 2 327.331 2.380 20 5 EEBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000275680674 269135608 /nfs/dbraw/zinc/13/56/08/269135608.db2.gz HYQVKIACAXJKLZ-CYBMUJFWSA-N 2 2 334.420 2.386 20 5 EEBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591577700 468485877 /nfs/dbraw/zinc/48/58/77/468485877.db2.gz BBABGGYSYCGKDM-HOCLYGCPSA-N 2 2 329.404 2.149 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000365489592 466835756 /nfs/dbraw/zinc/83/57/56/466835756.db2.gz FWUVIUBWTDCMCY-JFIYKMOQSA-N 2 2 331.416 2.425 20 5 EEBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCC2 ZINC000365489592 466835757 /nfs/dbraw/zinc/83/57/57/466835757.db2.gz FWUVIUBWTDCMCY-JFIYKMOQSA-N 2 2 331.416 2.425 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420408122 467397855 /nfs/dbraw/zinc/39/78/55/467397855.db2.gz OYRIITHTPDYWSY-FPMFFAJLSA-N 2 2 334.420 2.147 20 5 EEBDLP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420408122 467397857 /nfs/dbraw/zinc/39/78/57/467397857.db2.gz OYRIITHTPDYWSY-FPMFFAJLSA-N 2 2 334.420 2.147 20 5 EEBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)CC1 ZINC000420628614 467437312 /nfs/dbraw/zinc/43/73/12/467437312.db2.gz PRVWANMRLIWJFK-UHFFFAOYSA-N 2 2 347.463 2.295 20 5 EEBDLP CC[NH+]1CCC([N@H+]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)CC1 ZINC000420628614 467437315 /nfs/dbraw/zinc/43/73/15/467437315.db2.gz PRVWANMRLIWJFK-UHFFFAOYSA-N 2 2 347.463 2.295 20 5 EEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430573923 467443207 /nfs/dbraw/zinc/44/32/07/467443207.db2.gz NENLOVFHPFHTCE-WCQYABFASA-N 2 2 331.376 2.204 20 5 EEBDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000430573923 467443209 /nfs/dbraw/zinc/44/32/09/467443209.db2.gz NENLOVFHPFHTCE-WCQYABFASA-N 2 2 331.376 2.204 20 5 EEBDLP C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435618398 467482721 /nfs/dbraw/zinc/48/27/21/467482721.db2.gz SPDNYHYZJRWIAY-ZDUSSCGKSA-N 2 2 331.376 2.219 20 5 EEBDLP C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435618398 467482725 /nfs/dbraw/zinc/48/27/25/467482725.db2.gz SPDNYHYZJRWIAY-ZDUSSCGKSA-N 2 2 331.376 2.219 20 5 EEBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000415115333 467492822 /nfs/dbraw/zinc/49/28/22/467492822.db2.gz ULXVYIMVIYEMAY-AWEZNQCLSA-N 2 2 331.372 2.404 20 5 EEBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000415115333 467492826 /nfs/dbraw/zinc/49/28/26/467492826.db2.gz ULXVYIMVIYEMAY-AWEZNQCLSA-N 2 2 331.372 2.404 20 5 EEBDLP CC(C)(CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)[NH+]1CCOCC1 ZINC000601099954 468740653 /nfs/dbraw/zinc/74/06/53/468740653.db2.gz IZZVYRWTMASQGJ-UHFFFAOYSA-N 2 2 330.388 2.088 20 5 EEBDLP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000601147436 468760359 /nfs/dbraw/zinc/76/03/59/468760359.db2.gz NIKOIDLFCDMLDD-CHWSQXEVSA-N 2 2 330.388 2.034 20 5 EEBDLP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000601147436 468760365 /nfs/dbraw/zinc/76/03/65/468760365.db2.gz NIKOIDLFCDMLDD-CHWSQXEVSA-N 2 2 330.388 2.034 20 5 EEBDLP Cc1cc(N[C@@H]2CC[NH2+][C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000601980497 469126338 /nfs/dbraw/zinc/12/63/38/469126338.db2.gz LTVDTEIHEPZSSG-BXUZGUMPSA-N 2 2 327.388 2.335 20 5 EEBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[NH+]3CCCCCC3)CC2)cn1 ZINC000602511505 469344191 /nfs/dbraw/zinc/34/41/91/469344191.db2.gz NNICEFXJTWTDEV-UHFFFAOYSA-N 2 2 347.463 2.424 20 5 EEBDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130349432 223145950 /nfs/dbraw/zinc/14/59/50/223145950.db2.gz AIIOBXDICVJIQX-UHFFFAOYSA-N 2 2 331.376 2.060 20 5 EEBDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130349432 223145952 /nfs/dbraw/zinc/14/59/52/223145952.db2.gz AIIOBXDICVJIQX-UHFFFAOYSA-N 2 2 331.376 2.060 20 5 EEBDLP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000173620865 152182595 /nfs/dbraw/zinc/18/25/95/152182595.db2.gz YQRUEGOOZHAPQB-KRWDZBQOSA-N 2 2 346.431 2.163 20 5 EEBDLP CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000289171248 275102304 /nfs/dbraw/zinc/10/23/04/275102304.db2.gz FIGZCAOYWKNAQA-UHFFFAOYSA-N 2 2 326.416 2.049 20 5 EEBDLP CN(CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000289171248 275102305 /nfs/dbraw/zinc/10/23/05/275102305.db2.gz FIGZCAOYWKNAQA-UHFFFAOYSA-N 2 2 326.416 2.049 20 5 EEBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000158847068 277084008 /nfs/dbraw/zinc/08/40/08/277084008.db2.gz VDSIWVPGORJGLG-GUYCJALGSA-N 2 2 347.415 2.377 20 5 EEBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000158847068 277084009 /nfs/dbraw/zinc/08/40/09/277084009.db2.gz VDSIWVPGORJGLG-GUYCJALGSA-N 2 2 347.415 2.377 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000158847068 277084010 /nfs/dbraw/zinc/08/40/10/277084010.db2.gz VDSIWVPGORJGLG-GUYCJALGSA-N 2 2 347.415 2.377 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000158847068 277084011 /nfs/dbraw/zinc/08/40/11/277084011.db2.gz VDSIWVPGORJGLG-GUYCJALGSA-N 2 2 347.415 2.377 20 5 EEBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000414772608 313083503 /nfs/dbraw/zinc/08/35/03/313083503.db2.gz CGCNGKKXBBBREZ-CYBMUJFWSA-N 2 2 339.823 2.436 20 5 EEBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000414772608 313083506 /nfs/dbraw/zinc/08/35/06/313083506.db2.gz CGCNGKKXBBBREZ-CYBMUJFWSA-N 2 2 339.823 2.436 20 5 EEBDLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173618975 464294531 /nfs/dbraw/zinc/29/45/31/464294531.db2.gz OHBZEGYEIDEZBV-CYBMUJFWSA-N 2 2 334.420 2.384 20 5 EEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000254991283 465021738 /nfs/dbraw/zinc/02/17/38/465021738.db2.gz GHOZQYHWDLAGPK-OICCZTGUSA-N 2 2 331.416 2.262 20 5 EEBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000254991283 465021739 /nfs/dbraw/zinc/02/17/39/465021739.db2.gz GHOZQYHWDLAGPK-OICCZTGUSA-N 2 2 331.416 2.262 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631708 466888122 /nfs/dbraw/zinc/88/81/22/466888122.db2.gz AFULTYGUKFHVCK-ZBFHGGJFSA-N 2 2 330.388 2.241 20 5 EEBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000365631708 466888124 /nfs/dbraw/zinc/88/81/24/466888124.db2.gz AFULTYGUKFHVCK-ZBFHGGJFSA-N 2 2 330.388 2.241 20 5 EEBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427877666 467183566 /nfs/dbraw/zinc/18/35/66/467183566.db2.gz TZSQHUCEBPJAGJ-TZMCWYRMSA-N 2 2 343.387 2.113 20 5 EEBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)o2)c1 ZINC000415033802 467471531 /nfs/dbraw/zinc/47/15/31/467471531.db2.gz HFYPTRJGCXWDBP-INIZCTEOSA-N 2 2 331.372 2.323 20 5 EEBDLP CCc1cc(NC2CC[NH2+]CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000600961475 468698476 /nfs/dbraw/zinc/69/84/76/468698476.db2.gz RLSMMZIRRKAEKD-UHFFFAOYSA-N 2 2 327.388 2.200 20 5 EEBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000601126534 468753354 /nfs/dbraw/zinc/75/33/54/468753354.db2.gz SRNVXJQVEUHHCQ-AWEZNQCLSA-N 2 2 342.399 2.302 20 5 EEBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@H]21 ZINC000611286351 469219951 /nfs/dbraw/zinc/21/99/51/469219951.db2.gz QTKHDGSPAZUAGM-DZGCQCFKSA-N 2 2 347.415 2.282 20 5 EEBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@H]21 ZINC000611286351 469219957 /nfs/dbraw/zinc/21/99/57/469219957.db2.gz QTKHDGSPAZUAGM-DZGCQCFKSA-N 2 2 347.415 2.282 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@H]21 ZINC000611286351 469219961 /nfs/dbraw/zinc/21/99/61/469219961.db2.gz QTKHDGSPAZUAGM-DZGCQCFKSA-N 2 2 347.415 2.282 20 5 EEBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC[C@H]21 ZINC000611286351 469219966 /nfs/dbraw/zinc/21/99/66/469219966.db2.gz QTKHDGSPAZUAGM-DZGCQCFKSA-N 2 2 347.415 2.282 20 5 EEBDLP C[NH+]1CCN(C2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000877747391 1200072620 /nfs/dbraw/zinc/07/26/20/1200072620.db2.gz JNUFLCDSVFMJOZ-XQRVVYSFSA-N 2 2 344.459 2.320 20 5 EEBDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850558864 1277267296 /nfs/dbraw/zinc/26/72/96/1277267296.db2.gz UXOYHZIJMIIFIS-IUODEOHRSA-N 2 2 334.420 2.081 20 5 EEBDLP O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[NH2+]C3)no2)ccc1-n1cc[nH+]c1 ZINC000842663044 1315749124 /nfs/dbraw/zinc/74/91/24/1315749124.db2.gz XBYKGPAOMIGMRS-GFCCVEGCSA-N 2 2 340.343 2.298 20 5 EEBDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC001168735463 801986520 /nfs/dbraw/zinc/98/65/20/801986520.db2.gz QBWXOAZGPGCIRR-UHFFFAOYSA-N 2 2 340.387 2.251 20 5 EEBDLP