smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000152252988 1029654902 /nfs/dbraw/zinc/65/49/02/1029654902.db2.gz FULLSGKFFCSEOP-GOSISDBHSA-N 2 2 336.395 4.021 20 5 EIBDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000556132941 1047484815 /nfs/dbraw/zinc/48/48/15/1047484815.db2.gz UWVFVPMGONKCTR-RIFZZMRRSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000556132941 1047484826 /nfs/dbraw/zinc/48/48/26/1047484826.db2.gz UWVFVPMGONKCTR-RIFZZMRRSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173453741 1043976960 /nfs/dbraw/zinc/97/69/60/1043976960.db2.gz SONGFASTMBKZIP-LSDHHAIUSA-N 2 2 336.395 4.192 20 5 EIBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000536659980 1046629008 /nfs/dbraw/zinc/62/90/08/1046629008.db2.gz QNQDMKRBRJGWBH-WBVHZDCISA-N 2 2 333.476 4.023 20 5 EIBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000536659980 1046629022 /nfs/dbraw/zinc/62/90/22/1046629022.db2.gz QNQDMKRBRJGWBH-WBVHZDCISA-N 2 2 333.476 4.023 20 5 EIBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000536659980 1046629030 /nfs/dbraw/zinc/62/90/30/1046629030.db2.gz QNQDMKRBRJGWBH-WBVHZDCISA-N 2 2 333.476 4.023 20 5 EIBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000536659980 1046629039 /nfs/dbraw/zinc/62/90/39/1046629039.db2.gz QNQDMKRBRJGWBH-WBVHZDCISA-N 2 2 333.476 4.023 20 5 EIBDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556057307 1047420478 /nfs/dbraw/zinc/42/04/78/1047420478.db2.gz BDCLPSJVDWJVSO-CVAIRZPRSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556057307 1047420484 /nfs/dbraw/zinc/42/04/84/1047420484.db2.gz BDCLPSJVDWJVSO-CVAIRZPRSA-N 2 2 339.439 4.081 20 5 EIBDLP CCC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000378186487 1022488931 /nfs/dbraw/zinc/48/89/31/1022488931.db2.gz XPKKFKZCPILELX-SJLPKXTDSA-N 2 2 342.443 4.108 20 5 EIBDLP Cc1cc2cc3cc(C)c(Nc4ccc(N)[nH+]c4)cc3[nH+]c2cc1N ZINC001201294922 1054743417 /nfs/dbraw/zinc/74/34/17/1054743417.db2.gz KTARRJGKQZDHTK-UHFFFAOYSA-N 2 2 329.407 4.308 20 5 EIBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000536659977 1046629355 /nfs/dbraw/zinc/62/93/55/1046629355.db2.gz QNQDMKRBRJGWBH-DOTOQJQBSA-N 2 2 333.476 4.023 20 5 EIBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000536659977 1046629371 /nfs/dbraw/zinc/62/93/71/1046629371.db2.gz QNQDMKRBRJGWBH-DOTOQJQBSA-N 2 2 333.476 4.023 20 5 EIBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000536659977 1046629384 /nfs/dbraw/zinc/62/93/84/1046629384.db2.gz QNQDMKRBRJGWBH-DOTOQJQBSA-N 2 2 333.476 4.023 20 5 EIBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000536659977 1046629398 /nfs/dbraw/zinc/62/93/98/1046629398.db2.gz QNQDMKRBRJGWBH-DOTOQJQBSA-N 2 2 333.476 4.023 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852855 1047882552 /nfs/dbraw/zinc/88/25/52/1047882552.db2.gz HCIOONDONFYMFB-ZWKOTPCHSA-N 2 2 345.487 4.100 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852855 1047882556 /nfs/dbraw/zinc/88/25/56/1047882556.db2.gz HCIOONDONFYMFB-ZWKOTPCHSA-N 2 2 345.487 4.100 20 5 EIBDLP CCC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000378186485 1022489374 /nfs/dbraw/zinc/48/93/74/1022489374.db2.gz XPKKFKZCPILELX-AEFFLSMTSA-N 2 2 342.443 4.108 20 5 EIBDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453222233 1031741223 /nfs/dbraw/zinc/74/12/23/1031741223.db2.gz KZGMSUQFIUJAQE-CVAIRZPRSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453222233 1031741235 /nfs/dbraw/zinc/74/12/35/1031741235.db2.gz KZGMSUQFIUJAQE-CVAIRZPRSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000556132942 1047485314 /nfs/dbraw/zinc/48/53/14/1047485314.db2.gz UWVFVPMGONKCTR-VPWXQRGCSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000556132942 1047485326 /nfs/dbraw/zinc/48/53/26/1047485326.db2.gz UWVFVPMGONKCTR-VPWXQRGCSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172855211 1021858982 /nfs/dbraw/zinc/85/89/82/1021858982.db2.gz FXDZFCBBFVHZQY-GJZGRUSLSA-N 2 2 336.395 4.192 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441401216 1027524382 /nfs/dbraw/zinc/52/43/82/1027524382.db2.gz XUZQZULIUKAJAR-FGTMMUONSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441401216 1027524396 /nfs/dbraw/zinc/52/43/96/1027524396.db2.gz XUZQZULIUKAJAR-FGTMMUONSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000441401216 1027524409 /nfs/dbraw/zinc/52/44/09/1027524409.db2.gz XUZQZULIUKAJAR-FGTMMUONSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000441401216 1027524418 /nfs/dbraw/zinc/52/44/18/1027524418.db2.gz XUZQZULIUKAJAR-FGTMMUONSA-N 2 2 345.487 4.242 20 5 EIBDLP CC[NH+](CC)CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491304579 1041766188 /nfs/dbraw/zinc/76/61/88/1041766188.db2.gz KJDAMCRYRADSHX-FQEVSTJZSA-N 2 2 341.455 4.006 20 5 EIBDLP CC(C)[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491356341 1042431197 /nfs/dbraw/zinc/43/11/97/1042431197.db2.gz LSZOCCPOIWCWPI-FQEVSTJZSA-N 2 2 341.455 4.004 20 5 EIBDLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491356341 1042431199 /nfs/dbraw/zinc/43/11/99/1042431199.db2.gz LSZOCCPOIWCWPI-FQEVSTJZSA-N 2 2 341.455 4.004 20 5 EIBDLP C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172855217 1043830843 /nfs/dbraw/zinc/83/08/43/1043830843.db2.gz FXDZFCBBFVHZQY-CABCVRRESA-N 2 2 336.395 4.192 20 5 EIBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000536659978 1046626462 /nfs/dbraw/zinc/62/64/62/1046626462.db2.gz QNQDMKRBRJGWBH-NVXWUHKLSA-N 2 2 333.476 4.023 20 5 EIBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000536659978 1046626463 /nfs/dbraw/zinc/62/64/63/1046626463.db2.gz QNQDMKRBRJGWBH-NVXWUHKLSA-N 2 2 333.476 4.023 20 5 EIBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000536659978 1046626465 /nfs/dbraw/zinc/62/64/65/1046626465.db2.gz QNQDMKRBRJGWBH-NVXWUHKLSA-N 2 2 333.476 4.023 20 5 EIBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000536659978 1046626466 /nfs/dbraw/zinc/62/64/66/1046626466.db2.gz QNQDMKRBRJGWBH-NVXWUHKLSA-N 2 2 333.476 4.023 20 5 EIBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000536659979 1046627760 /nfs/dbraw/zinc/62/77/60/1046627760.db2.gz QNQDMKRBRJGWBH-RDJZCZTQSA-N 2 2 333.476 4.023 20 5 EIBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000536659979 1046627770 /nfs/dbraw/zinc/62/77/70/1046627770.db2.gz QNQDMKRBRJGWBH-RDJZCZTQSA-N 2 2 333.476 4.023 20 5 EIBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000536659979 1046627777 /nfs/dbraw/zinc/62/77/77/1046627777.db2.gz QNQDMKRBRJGWBH-RDJZCZTQSA-N 2 2 333.476 4.023 20 5 EIBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000536659979 1046627791 /nfs/dbraw/zinc/62/77/91/1046627791.db2.gz QNQDMKRBRJGWBH-RDJZCZTQSA-N 2 2 333.476 4.023 20 5 EIBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001175965454 1051850916 /nfs/dbraw/zinc/85/09/16/1051850916.db2.gz ILRSADPGQUQCBC-KRWDZBQOSA-N 2 2 345.487 4.305 20 5 EIBDLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060564 1054370684 /nfs/dbraw/zinc/37/06/84/1054370684.db2.gz RAVAHPHTKNTQMY-SOUVJXGZSA-N 2 2 349.450 4.038 20 5 EIBDLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060564 1054370698 /nfs/dbraw/zinc/37/06/98/1054370698.db2.gz RAVAHPHTKNTQMY-SOUVJXGZSA-N 2 2 349.450 4.038 20 5 EIBDLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000476825398 1039952056 /nfs/dbraw/zinc/95/20/56/1039952056.db2.gz REWZBOZWGUHSIV-OAHLLOKOSA-N 2 2 331.460 4.043 20 5 EIBDLP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872060561 1054370293 /nfs/dbraw/zinc/37/02/93/1054370293.db2.gz RAVAHPHTKNTQMY-ILXRZTDVSA-N 2 2 349.450 4.038 20 5 EIBDLP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000872060561 1054370304 /nfs/dbraw/zinc/37/03/04/1054370304.db2.gz RAVAHPHTKNTQMY-ILXRZTDVSA-N 2 2 349.450 4.038 20 5 EIBDLP COCCC[N@H+](C)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000742374705 1058598221 /nfs/dbraw/zinc/59/82/21/1058598221.db2.gz DCAAVRHJMWRBFR-UHFFFAOYSA-N 2 2 336.479 4.051 20 5 EIBDLP COCCC[N@@H+](C)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000742374705 1058598240 /nfs/dbraw/zinc/59/82/40/1058598240.db2.gz DCAAVRHJMWRBFR-UHFFFAOYSA-N 2 2 336.479 4.051 20 5 EIBDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245519148 1028867955 /nfs/dbraw/zinc/86/79/55/1028867955.db2.gz IKHWHUBLGMWKLH-NVXWUHKLSA-N 2 2 342.443 4.060 20 5 EIBDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245519148 1028867957 /nfs/dbraw/zinc/86/79/57/1028867957.db2.gz IKHWHUBLGMWKLH-NVXWUHKLSA-N 2 2 342.443 4.060 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491061992 1035796655 /nfs/dbraw/zinc/79/66/55/1035796655.db2.gz PJFGFMXZMREVRC-QZTJIDSGSA-N 2 2 345.487 4.244 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491061992 1035796691 /nfs/dbraw/zinc/79/66/91/1035796691.db2.gz PJFGFMXZMREVRC-QZTJIDSGSA-N 2 2 345.487 4.244 20 5 EIBDLP CC[NH+](CC)CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491304581 1041765642 /nfs/dbraw/zinc/76/56/42/1041765642.db2.gz KJDAMCRYRADSHX-HXUWFJFHSA-N 2 2 341.455 4.006 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534241 1042878684 /nfs/dbraw/zinc/87/86/84/1042878684.db2.gz KBKTWYAZQKWNGV-ROUUACIJSA-N 2 2 345.487 4.100 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534241 1042878686 /nfs/dbraw/zinc/87/86/86/1042878686.db2.gz KBKTWYAZQKWNGV-ROUUACIJSA-N 2 2 345.487 4.100 20 5 EIBDLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1c3ccccc3cc3ccccc31)C2 ZINC000810171736 1048653110 /nfs/dbraw/zinc/65/31/10/1048653110.db2.gz RSPFSDWGLRYQBX-QGZVFWFLSA-N 2 2 327.431 4.363 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534239 1042878262 /nfs/dbraw/zinc/87/82/62/1042878262.db2.gz KBKTWYAZQKWNGV-QZTJIDSGSA-N 2 2 345.487 4.100 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534239 1042878263 /nfs/dbraw/zinc/87/82/63/1042878263.db2.gz KBKTWYAZQKWNGV-QZTJIDSGSA-N 2 2 345.487 4.100 20 5 EIBDLP C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000172855227 1043829603 /nfs/dbraw/zinc/82/96/03/1043829603.db2.gz FXDZFCBBFVHZQY-HUUCEWRRSA-N 2 2 336.395 4.192 20 5 EIBDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556057310 1047420320 /nfs/dbraw/zinc/42/03/20/1047420320.db2.gz BDCLPSJVDWJVSO-QSFXBCCZSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556057310 1047420322 /nfs/dbraw/zinc/42/03/22/1047420322.db2.gz BDCLPSJVDWJVSO-QSFXBCCZSA-N 2 2 339.439 4.081 20 5 EIBDLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1c3ccccc3cc3ccccc31)C2 ZINC000810171735 1048653546 /nfs/dbraw/zinc/65/35/46/1048653546.db2.gz RSPFSDWGLRYQBX-KRWDZBQOSA-N 2 2 327.431 4.363 20 5 EIBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001175965455 1051851301 /nfs/dbraw/zinc/85/13/01/1051851301.db2.gz ILRSADPGQUQCBC-QGZVFWFLSA-N 2 2 345.487 4.305 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506482775 1042497119 /nfs/dbraw/zinc/49/71/19/1042497119.db2.gz UOXDJYWZXZCNFT-KURKYZTESA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506482775 1042497124 /nfs/dbraw/zinc/49/71/24/1042497124.db2.gz UOXDJYWZXZCNFT-KURKYZTESA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506482775 1042497127 /nfs/dbraw/zinc/49/71/27/1042497127.db2.gz UOXDJYWZXZCNFT-KURKYZTESA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506482775 1042497130 /nfs/dbraw/zinc/49/71/30/1042497130.db2.gz UOXDJYWZXZCNFT-KURKYZTESA-N 2 2 345.487 4.242 20 5 EIBDLP CC(C)c1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000506354882 1042339657 /nfs/dbraw/zinc/33/96/57/1042339657.db2.gz YYPJDNDFGODVJN-UHFFFAOYSA-N 2 2 333.476 4.023 20 5 EIBDLP CC(C)c1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000506354882 1042339663 /nfs/dbraw/zinc/33/96/63/1042339663.db2.gz YYPJDNDFGODVJN-UHFFFAOYSA-N 2 2 333.476 4.023 20 5 EIBDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556057311 1047419506 /nfs/dbraw/zinc/41/95/06/1047419506.db2.gz BDCLPSJVDWJVSO-ZAAXVRCTSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556057311 1047419509 /nfs/dbraw/zinc/41/95/09/1047419509.db2.gz BDCLPSJVDWJVSO-ZAAXVRCTSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441401219 1027525077 /nfs/dbraw/zinc/52/50/77/1027525077.db2.gz XUZQZULIUKAJAR-SQNIBIBYSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441401219 1027525089 /nfs/dbraw/zinc/52/50/89/1027525089.db2.gz XUZQZULIUKAJAR-SQNIBIBYSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000441401219 1027525106 /nfs/dbraw/zinc/52/51/06/1027525106.db2.gz XUZQZULIUKAJAR-SQNIBIBYSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000441401219 1027525129 /nfs/dbraw/zinc/52/51/29/1027525129.db2.gz XUZQZULIUKAJAR-SQNIBIBYSA-N 2 2 345.487 4.242 20 5 EIBDLP CC(C)[N@H+](C)CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491356342 1042431362 /nfs/dbraw/zinc/43/13/62/1042431362.db2.gz LSZOCCPOIWCWPI-HXUWFJFHSA-N 2 2 341.455 4.004 20 5 EIBDLP CC(C)[N@@H+](C)CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491356342 1042431366 /nfs/dbraw/zinc/43/13/66/1042431366.db2.gz LSZOCCPOIWCWPI-HXUWFJFHSA-N 2 2 341.455 4.004 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000441491061 1042841082 /nfs/dbraw/zinc/84/10/82/1042841082.db2.gz MRZCYMVVHIRTCB-ZWKOTPCHSA-N 2 2 345.487 4.244 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000441491061 1042841087 /nfs/dbraw/zinc/84/10/87/1042841087.db2.gz MRZCYMVVHIRTCB-ZWKOTPCHSA-N 2 2 345.487 4.244 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852853 1047881666 /nfs/dbraw/zinc/88/16/66/1047881666.db2.gz HCIOONDONFYMFB-ROUUACIJSA-N 2 2 345.487 4.100 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852853 1047881669 /nfs/dbraw/zinc/88/16/69/1047881669.db2.gz HCIOONDONFYMFB-ROUUACIJSA-N 2 2 345.487 4.100 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534244 1042878249 /nfs/dbraw/zinc/87/82/49/1042878249.db2.gz KBKTWYAZQKWNGV-ZWKOTPCHSA-N 2 2 345.487 4.100 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534244 1042878250 /nfs/dbraw/zinc/87/82/50/1042878250.db2.gz KBKTWYAZQKWNGV-ZWKOTPCHSA-N 2 2 345.487 4.100 20 5 EIBDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000556132940 1045253323 /nfs/dbraw/zinc/25/33/23/1045253323.db2.gz UWVFVPMGONKCTR-KNBMTAEXSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000556132940 1045253330 /nfs/dbraw/zinc/25/33/30/1045253330.db2.gz UWVFVPMGONKCTR-KNBMTAEXSA-N 2 2 339.439 4.081 20 5 EIBDLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000152252914 1029654319 /nfs/dbraw/zinc/65/43/19/1029654319.db2.gz FULLSGKFFCSEOP-SFHVURJKSA-N 2 2 336.395 4.021 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441401217 1027526041 /nfs/dbraw/zinc/52/60/41/1027526041.db2.gz XUZQZULIUKAJAR-KURKYZTESA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441401217 1027526050 /nfs/dbraw/zinc/52/60/50/1027526050.db2.gz XUZQZULIUKAJAR-KURKYZTESA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000441401217 1027526061 /nfs/dbraw/zinc/52/60/61/1027526061.db2.gz XUZQZULIUKAJAR-KURKYZTESA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000441401217 1027526073 /nfs/dbraw/zinc/52/60/73/1027526073.db2.gz XUZQZULIUKAJAR-KURKYZTESA-N 2 2 345.487 4.242 20 5 EIBDLP CC(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000537649238 1039818155 /nfs/dbraw/zinc/81/81/55/1039818155.db2.gz VGLXYVBEQUSEDW-GOSISDBHSA-N 2 2 345.487 4.026 20 5 EIBDLP CC(C)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000537649238 1039818159 /nfs/dbraw/zinc/81/81/59/1039818159.db2.gz VGLXYVBEQUSEDW-GOSISDBHSA-N 2 2 345.487 4.026 20 5 EIBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000538720824 1041493960 /nfs/dbraw/zinc/49/39/60/1041493960.db2.gz XZDMDNLDTHRVCG-GOSISDBHSA-N 2 2 345.487 4.169 20 5 EIBDLP CC(C)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000538720824 1041493977 /nfs/dbraw/zinc/49/39/77/1041493977.db2.gz XZDMDNLDTHRVCG-GOSISDBHSA-N 2 2 345.487 4.169 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000441491060 1042840658 /nfs/dbraw/zinc/84/06/58/1042840658.db2.gz MRZCYMVVHIRTCB-ROUUACIJSA-N 2 2 345.487 4.244 20 5 EIBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000441491060 1042840662 /nfs/dbraw/zinc/84/06/62/1042840662.db2.gz MRZCYMVVHIRTCB-ROUUACIJSA-N 2 2 345.487 4.244 20 5 EIBDLP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872060563 1054370837 /nfs/dbraw/zinc/37/08/37/1054370837.db2.gz RAVAHPHTKNTQMY-QLFBSQMISA-N 2 2 349.450 4.038 20 5 EIBDLP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000872060563 1054370839 /nfs/dbraw/zinc/37/08/39/1054370839.db2.gz RAVAHPHTKNTQMY-QLFBSQMISA-N 2 2 349.450 4.038 20 5 EIBDLP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173453712 1043974956 /nfs/dbraw/zinc/97/49/56/1043974956.db2.gz SONGFASTMBKZIP-GJZGRUSLSA-N 2 2 336.395 4.192 20 5 EIBDLP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1Nc1ccc(N)[nH+]c1 ZINC001201292448 1054736850 /nfs/dbraw/zinc/73/68/50/1054736850.db2.gz YPCHPBVWZHLORY-UHFFFAOYSA-N 2 2 343.434 4.483 20 5 EIBDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453222235 1031740294 /nfs/dbraw/zinc/74/02/94/1031740294.db2.gz KZGMSUQFIUJAQE-QSFXBCCZSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453222235 1031740313 /nfs/dbraw/zinc/74/03/13/1031740313.db2.gz KZGMSUQFIUJAQE-QSFXBCCZSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491061993 1035799062 /nfs/dbraw/zinc/79/90/62/1035799062.db2.gz PJFGFMXZMREVRC-ROUUACIJSA-N 2 2 345.487 4.244 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491061993 1035799088 /nfs/dbraw/zinc/79/90/88/1035799088.db2.gz PJFGFMXZMREVRC-ROUUACIJSA-N 2 2 345.487 4.244 20 5 EIBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000537649239 1039819164 /nfs/dbraw/zinc/81/91/64/1039819164.db2.gz VGLXYVBEQUSEDW-SFHVURJKSA-N 2 2 345.487 4.026 20 5 EIBDLP CC(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000537649239 1039819165 /nfs/dbraw/zinc/81/91/65/1039819165.db2.gz VGLXYVBEQUSEDW-SFHVURJKSA-N 2 2 345.487 4.026 20 5 EIBDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000556132943 1047484099 /nfs/dbraw/zinc/48/40/99/1047484099.db2.gz UWVFVPMGONKCTR-XAUMDUMWSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000556132943 1047484108 /nfs/dbraw/zinc/48/41/08/1047484108.db2.gz UWVFVPMGONKCTR-XAUMDUMWSA-N 2 2 339.439 4.081 20 5 EIBDLP CN(C)c1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)c[nH+]1 ZINC001175345255 1051513872 /nfs/dbraw/zinc/51/38/72/1051513872.db2.gz UBIIPXBASXHWBJ-UHFFFAOYSA-N 2 2 329.407 4.175 20 5 EIBDLP CCC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000378186488 1022489611 /nfs/dbraw/zinc/48/96/11/1022489611.db2.gz XPKKFKZCPILELX-WMZOPIPTSA-N 2 2 342.443 4.108 20 5 EIBDLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000476825395 1039952855 /nfs/dbraw/zinc/95/28/55/1039952855.db2.gz REWZBOZWGUHSIV-HNNXBMFYSA-N 2 2 331.460 4.043 20 5 EIBDLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000172855225 1043830779 /nfs/dbraw/zinc/83/07/79/1043830779.db2.gz FXDZFCBBFVHZQY-LSDHHAIUSA-N 2 2 336.395 4.192 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441401218 1027523546 /nfs/dbraw/zinc/52/35/46/1027523546.db2.gz XUZQZULIUKAJAR-KZNAEPCWSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441401218 1027523556 /nfs/dbraw/zinc/52/35/56/1027523556.db2.gz XUZQZULIUKAJAR-KZNAEPCWSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000441401218 1027523582 /nfs/dbraw/zinc/52/35/82/1027523582.db2.gz XUZQZULIUKAJAR-KZNAEPCWSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000441401218 1027523598 /nfs/dbraw/zinc/52/35/98/1027523598.db2.gz XUZQZULIUKAJAR-KZNAEPCWSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506482776 1042497369 /nfs/dbraw/zinc/49/73/69/1042497369.db2.gz UOXDJYWZXZCNFT-KZNAEPCWSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506482776 1042497374 /nfs/dbraw/zinc/49/73/74/1042497374.db2.gz UOXDJYWZXZCNFT-KZNAEPCWSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506482776 1042497381 /nfs/dbraw/zinc/49/73/81/1042497381.db2.gz UOXDJYWZXZCNFT-KZNAEPCWSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506482776 1042497389 /nfs/dbraw/zinc/49/73/89/1042497389.db2.gz UOXDJYWZXZCNFT-KZNAEPCWSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173453727 1043975400 /nfs/dbraw/zinc/97/54/00/1043975400.db2.gz SONGFASTMBKZIP-CABCVRRESA-N 2 2 336.395 4.192 20 5 EIBDLP CCC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000378186486 1022489912 /nfs/dbraw/zinc/48/99/12/1022489912.db2.gz XPKKFKZCPILELX-FUHWJXTLSA-N 2 2 342.443 4.108 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000441491059 1042841064 /nfs/dbraw/zinc/84/10/64/1042841064.db2.gz MRZCYMVVHIRTCB-QZTJIDSGSA-N 2 2 345.487 4.244 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000441491059 1042841066 /nfs/dbraw/zinc/84/10/66/1042841066.db2.gz MRZCYMVVHIRTCB-QZTJIDSGSA-N 2 2 345.487 4.244 20 5 EIBDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556057309 1047420405 /nfs/dbraw/zinc/42/04/05/1047420405.db2.gz BDCLPSJVDWJVSO-QKYXUNIQSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556057309 1047420407 /nfs/dbraw/zinc/42/04/07/1047420407.db2.gz BDCLPSJVDWJVSO-QKYXUNIQSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060562 1054369801 /nfs/dbraw/zinc/36/98/01/1054369801.db2.gz RAVAHPHTKNTQMY-KKUMJFAQSA-N 2 2 349.450 4.038 20 5 EIBDLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060562 1054369809 /nfs/dbraw/zinc/36/98/09/1054369809.db2.gz RAVAHPHTKNTQMY-KKUMJFAQSA-N 2 2 349.450 4.038 20 5 EIBDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453222234 1031740817 /nfs/dbraw/zinc/74/08/17/1031740817.db2.gz KZGMSUQFIUJAQE-QKYXUNIQSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453222234 1031740828 /nfs/dbraw/zinc/74/08/28/1031740828.db2.gz KZGMSUQFIUJAQE-QKYXUNIQSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491061994 1035799300 /nfs/dbraw/zinc/79/93/00/1035799300.db2.gz PJFGFMXZMREVRC-ZWKOTPCHSA-N 2 2 345.487 4.244 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491061994 1035799331 /nfs/dbraw/zinc/79/93/31/1035799331.db2.gz PJFGFMXZMREVRC-ZWKOTPCHSA-N 2 2 345.487 4.244 20 5 EIBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000538720825 1041492971 /nfs/dbraw/zinc/49/29/71/1041492971.db2.gz XZDMDNLDTHRVCG-SFHVURJKSA-N 2 2 345.487 4.169 20 5 EIBDLP CC(C)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000538720825 1041492979 /nfs/dbraw/zinc/49/29/79/1041492979.db2.gz XZDMDNLDTHRVCG-SFHVURJKSA-N 2 2 345.487 4.169 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000441491058 1042840635 /nfs/dbraw/zinc/84/06/35/1042840635.db2.gz MRZCYMVVHIRTCB-MSOLQXFVSA-N 2 2 345.487 4.244 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000441491058 1042840637 /nfs/dbraw/zinc/84/06/37/1042840637.db2.gz MRZCYMVVHIRTCB-MSOLQXFVSA-N 2 2 345.487 4.244 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852850 1047881326 /nfs/dbraw/zinc/88/13/26/1047881326.db2.gz HCIOONDONFYMFB-MSOLQXFVSA-N 2 2 345.487 4.100 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852850 1047881327 /nfs/dbraw/zinc/88/13/27/1047881327.db2.gz HCIOONDONFYMFB-MSOLQXFVSA-N 2 2 345.487 4.100 20 5 EIBDLP C[NH+](C)CCCn1cc(Nc2ccc3[nH+]c4ccccc4cc3c2)cn1 ZINC001187162757 1050483837 /nfs/dbraw/zinc/48/38/37/1050483837.db2.gz FKDCNGRGOGJASJ-UHFFFAOYSA-N 2 2 345.450 4.280 20 5 EIBDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453222236 1031739678 /nfs/dbraw/zinc/73/96/78/1031739678.db2.gz KZGMSUQFIUJAQE-ZAAXVRCTSA-N 2 2 339.439 4.081 20 5 EIBDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453222236 1031739691 /nfs/dbraw/zinc/73/96/91/1031739691.db2.gz KZGMSUQFIUJAQE-ZAAXVRCTSA-N 2 2 339.439 4.081 20 5 EIBDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182759762 1034989018 /nfs/dbraw/zinc/98/90/18/1034989018.db2.gz IKHWHUBLGMWKLH-DOTOQJQBSA-N 2 2 342.443 4.060 20 5 EIBDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182759762 1034989026 /nfs/dbraw/zinc/98/90/26/1034989026.db2.gz IKHWHUBLGMWKLH-DOTOQJQBSA-N 2 2 342.443 4.060 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506482774 1042497532 /nfs/dbraw/zinc/49/75/32/1042497532.db2.gz UOXDJYWZXZCNFT-FGTMMUONSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506482774 1042497533 /nfs/dbraw/zinc/49/75/33/1042497533.db2.gz UOXDJYWZXZCNFT-FGTMMUONSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506482774 1042497536 /nfs/dbraw/zinc/49/75/36/1042497536.db2.gz UOXDJYWZXZCNFT-FGTMMUONSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506482774 1042497538 /nfs/dbraw/zinc/49/75/38/1042497538.db2.gz UOXDJYWZXZCNFT-FGTMMUONSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173453757 1043974861 /nfs/dbraw/zinc/97/48/61/1043974861.db2.gz SONGFASTMBKZIP-HUUCEWRRSA-N 2 2 336.395 4.192 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491061991 1035795466 /nfs/dbraw/zinc/79/54/66/1035795466.db2.gz PJFGFMXZMREVRC-MSOLQXFVSA-N 2 2 345.487 4.244 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491061991 1035795496 /nfs/dbraw/zinc/79/54/96/1035795496.db2.gz PJFGFMXZMREVRC-MSOLQXFVSA-N 2 2 345.487 4.244 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506482777 1042497730 /nfs/dbraw/zinc/49/77/30/1042497730.db2.gz UOXDJYWZXZCNFT-SQNIBIBYSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506482777 1042497735 /nfs/dbraw/zinc/49/77/35/1042497735.db2.gz UOXDJYWZXZCNFT-SQNIBIBYSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506482777 1042497742 /nfs/dbraw/zinc/49/77/42/1042497742.db2.gz UOXDJYWZXZCNFT-SQNIBIBYSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506482777 1042497750 /nfs/dbraw/zinc/49/77/50/1042497750.db2.gz UOXDJYWZXZCNFT-SQNIBIBYSA-N 2 2 345.487 4.242 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534237 1042878333 /nfs/dbraw/zinc/87/83/33/1042878333.db2.gz KBKTWYAZQKWNGV-MSOLQXFVSA-N 2 2 345.487 4.100 20 5 EIBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534237 1042878334 /nfs/dbraw/zinc/87/83/34/1042878334.db2.gz KBKTWYAZQKWNGV-MSOLQXFVSA-N 2 2 345.487 4.100 20 5 EIBDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245519153 1043958594 /nfs/dbraw/zinc/95/85/94/1043958594.db2.gz IKHWHUBLGMWKLH-WBVHZDCISA-N 2 2 342.443 4.060 20 5 EIBDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245519153 1043958605 /nfs/dbraw/zinc/95/86/05/1043958605.db2.gz IKHWHUBLGMWKLH-WBVHZDCISA-N 2 2 342.443 4.060 20 5 EIBDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000510470402 1023785064 /nfs/dbraw/zinc/78/50/64/1023785064.db2.gz VZQUANCPHNKTIS-UHFFFAOYSA-N 2 2 333.476 4.024 20 5 EIBDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000510470402 1023785068 /nfs/dbraw/zinc/78/50/68/1023785068.db2.gz VZQUANCPHNKTIS-UHFFFAOYSA-N 2 2 333.476 4.024 20 5 EIBDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182759780 1034988460 /nfs/dbraw/zinc/98/84/60/1034988460.db2.gz IKHWHUBLGMWKLH-RDJZCZTQSA-N 2 2 342.443 4.060 20 5 EIBDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182759780 1034988464 /nfs/dbraw/zinc/98/84/64/1034988464.db2.gz IKHWHUBLGMWKLH-RDJZCZTQSA-N 2 2 342.443 4.060 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852852 1047882600 /nfs/dbraw/zinc/88/26/00/1047882600.db2.gz HCIOONDONFYMFB-QZTJIDSGSA-N 2 2 345.487 4.100 20 5 EIBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852852 1047882609 /nfs/dbraw/zinc/88/26/09/1047882609.db2.gz HCIOONDONFYMFB-QZTJIDSGSA-N 2 2 345.487 4.100 20 5 EIBDLP